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CAS 1585969-17-0

CAS 1585969-17-0

Chemistry, 1 End Use API, 7 Related Intermediates

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CAS 1585969-17-0

Also known as: 1954693-13-0, 1585969-17-0, 5-bromo-2-(5-bromo-2,3-dihydro-1h-indol-2-yl)phenol, Tqp0847, Bcp20018, Bcp20090

Molecular Formula

C₁₄H₁₁Br₂NO

Molecular Weight

369.05 g/mol

InChI Key

UEUDUQLMNBTXFJ-UHFFFAOYSA-N

1 2D Structure

CAS 1585969-17-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-bromo-2-(5-bromo-2,3-dihydro-1H-indol-2-yl)phenol

2.1.2 InChI

InChI=1S/C14H11Br2NO/c15-9-2-4-12-8(5-9)6-13(17-12)11-3-1-10(16)7-14(11)18/h1-5,7,13,17-18H,6H2

2.1.3 InChI Key

UEUDUQLMNBTXFJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1C(NC2=C1C=C(C=C2)Br)C3=C(C=C(C=C3)Br)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1954693-13-0

2. 1585969-17-0

3. 5-bromo-2-(5-bromo-2,3-dihydro-1h-indol-2-yl)phenol

4. Tqp0847

5. Bcp20018

6. Bcp20090

7. Cs-b1724

8. Cs-15326

9. C13288

10. Phenol, 5-bromo-2-[(2r)-5-bromo-2,3-dihydro-1h-indol-2-yl]-

2.3 Create Date

2017-01-25

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₁Br₂NO
Molecular Weight	369.05 g/mol
XLogP3	4.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	368.91869 g/mol
Monoisotopic Mass	366.92074 g/mol
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	302
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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Ningbo Chemgoo Pharma Tech

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Digital Content

2,5-Dibromophenylaceticacid

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URL Supplier Web Content

CAS Number

203314-28-7

End Use API

Elbasvir

About the Company

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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