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CAS 545445-10-1 manufacturers and suppliers on PharmaCompass

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CAS 545445-10-1
Also known as: 545445-10-1, 2-piperidinone, 3,3-dichloro-1-(4-iodophenyl)-, 3,3-dichloro-1-(4-iodophenyl)-piperidin-2-one, 3,3-dichloro-1-(4-iodophenyl)-2-piperidinone, Schembl1919626, Dtxsid00625156
Molecular Formula
C11H10Cl2INO
Molecular Weight
370.01  g/mol
InChI Key
JVLADMOFJQGIIN-UHFFFAOYSA-N

1 2D Structure

CAS 545445-10-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3,3-dichloro-1-(4-iodophenyl)piperidin-2-one
2.1.2 InChI
InChI=1S/C11H10Cl2INO/c12-11(13)6-1-7-15(10(11)16)9-4-2-8(14)3-5-9/h2-5H,1,6-7H2
2.1.3 InChI Key
JVLADMOFJQGIIN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC(C(=O)N(C1)C2=CC=C(C=C2)I)(Cl)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 545445-10-1

2. 2-piperidinone, 3,3-dichloro-1-(4-iodophenyl)-

3. 3,3-dichloro-1-(4-iodophenyl)-piperidin-2-one

4. 3,3-dichloro-1-(4-iodophenyl)-2-piperidinone

5. Schembl1919626

6. Dtxsid00625156

7. Cs-m2279

8. Vwa44510

9. Zinc89228487

10. Akos027295290

11. Cs-14599

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 370.01 g/mol
Molecular Formula C11H10Cl2INO
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass368.91842 g/mol
Monoisotopic Mass368.91842 g/mol
Topological Polar Surface Area20.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity277
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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27143-07-3
Apixaban
Ningbo Chemgoo is a R&D-driven company with core technology of organic chemistry, dedicating in technolog...
Ningbo Chemgoo is a R&D-driven company with core technology of organic chemistry, dedicating in technology development and industrialization. We provide intermediates from gram scale to hundreds of Kg to domestic and abroad customers in pharmaceutical area. The R&D center occupies around 3,000m2, equipped with gram scale labs, pilot labs, analysis center, safety assessment lab and platform for flow chemistry. The company has successfully developed more than 60 projects. The main products of Telmisartan intermediates widely win good reputation in markets.
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Ningbo Chemgoo is a R&D-driven company with core technology of organic chemistry, dedicating in technolog...
Ningbo Chemgoo is a R&D-driven company with core technology of organic chemistry, dedicating in technology development and industrialization. We provide intermediates from gram scale to hundreds of Kg to domestic and abroad customers in pharmaceutical area. The R&D center occupies around 3,000m2, equipped with gram scale labs, pilot labs, analysis center, safety assessment lab and platform for flow chemistry. The company has successfully developed more than 60 projects. The main products of Telmisartan intermediates widely win good reputation in markets.
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1267610-26-3
Apixaban
Ningbo Chemgoo is a R&D-driven company with core technology of organic chemistry, dedicating in technolog...
Ningbo Chemgoo is a R&D-driven company with core technology of organic chemistry, dedicating in technology development and industrialization. We provide intermediates from gram scale to hundreds of Kg to domestic and abroad customers in pharmaceutical area. The R&D center occupies around 3,000m2, equipped with gram scale labs, pilot labs, analysis center, safety assessment lab and platform for flow chemistry. The company has successfully developed more than 60 projects. The main products of Telmisartan intermediates widely win good reputation in markets.
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