Fuan Pharmaceutical

943311-78-2

Chemistry, 1 End Use API, 21 Related Intermediates

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Also known as: 943311-78-2, 4-(4-bromo-3-(((tetrahydro-2h-pyran-2-yl)oxy)methyl)phenoxy)benzonitrile, Ec 807-693-6, 4-[4-bromo-3-(oxan-2-yloxymethyl)phenoxy]benzonitrile, Benzonitrile, 4-[4-bromo-3-[[(tetrahydro-2h-pyran-2-yl)oxy]methyl]phenoxy]-, 4-[4-bromo-3-[[(tetrahydro-2h-pyran-2-yl)oxy]methyl]phenoxy]benzonitrile

Molecular Formula

C₁₉H₁₈BrNO₃

Molecular Weight

388.3 g/mol

InChI Key

FSRXMCXXMADZQL-UHFFFAOYSA-N

1 2D Structure

943311-78-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[4-bromo-3-(oxan-2-yloxymethyl)phenoxy]benzonitrile

2.1.2 InChI

InChI=1S/C19H18BrNO3/c20-18-9-8-17(24-16-6-4-14(12-21)5-7-16)11-15(18)13-23-19-3-1-2-10-22-19/h4-9,11,19H,1-3,10,13H2

2.1.3 InChI Key

FSRXMCXXMADZQL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CCOC(C1)OCC2=C(C=CC(=C2)OC3=CC=C(C=C3)C#N)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 943311-78-2

2. 4-(4-bromo-3-(((tetrahydro-2h-pyran-2-yl)oxy)methyl)phenoxy)benzonitrile

3. Ec 807-693-6

4. 4-[4-bromo-3-(oxan-2-yloxymethyl)phenoxy]benzonitrile

5. Benzonitrile, 4-[4-bromo-3-[[(tetrahydro-2h-pyran-2-yl)oxy]methyl]phenoxy]-

6. 4-[4-bromo-3-[[(tetrahydro-2h-pyran-2-yl)oxy]methyl]phenoxy]benzonitrile

7. Schembl21239438

8. Dtxsid101149062

9. A858024

10. 4-{4-bromo-3-[(oxan-2-yloxy)methyl]phenoxy}benzonitrile

2.3 Create Date

2017-12-18

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₁₈BrNO₃
Molecular Weight	388.3 g/mol
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	51.5
Heavy Atom Count	24
Formal Charge	0
Complexity	430
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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2-bromo-5-hydroxy-benzaldehyde

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CAS Number

2973-80-0

End Use API

Crisaborole

About the Company

Fuan Pharmaceutical (Group) Co., Ltd. was established on February 25, 2004. The company is located in Cho...

Fuan Pharmaceutical (Group) Co., Ltd. was established on February 25, 2004. The company is located in Chongqing Changshou Economic and Technological Development Zone, covering an area of about 100 acres, a construction area of over 30,000 square meters, and a registered capital of 1.189 billion yuan. It is the first company in Changshou Economic and Technological Development Zone successfully listed on the Shenzhen GEM (March 22, 2011, stock code: 300194). The company has 9 wholly-owned and holding subsidiaries. In March 2008, Fuan Pharmaceutical Group Chongqing Lybon Pharm-Tech Co

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