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CAS 864070-18-8

Chemistry, 5 End Use API, 152 Related Intermediates

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Also known as: 864070-18-8, 4-[(5-bromo-2-chlorophenyl)methyl]phenol, Phenol, 4-[(5-bromo-2-chlorophenyl)methyl]-, Dapagliflozin impurity 39, Schembl17842, Dtxsid40726338

Molecular Formula

C₁₃H₁₀BrClO

Molecular Weight

297.57 g/mol

InChI Key

CSQCYSDEAYXXTN-UHFFFAOYSA-N

1 2D Structure

CAS 864070-18-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[(5-bromo-2-chlorophenyl)methyl]phenol

2.1.2 InChI

InChI=1S/C13H10BrClO/c14-11-3-6-13(15)10(8-11)7-9-1-4-12(16)5-2-9/h1-6,8,16H,7H2

2.1.3 InChI Key

CSQCYSDEAYXXTN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1CC2=C(C=CC(=C2)Br)Cl)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 864070-18-8

2. 4-[(5-bromo-2-chlorophenyl)methyl]phenol

3. Phenol, 4-[(5-bromo-2-chlorophenyl)methyl]-

4. Dapagliflozin Impurity 39

5. Schembl17842

6. Dtxsid40726338

7. Amy31452

8. Mfcd19441145

9. Zinc85224782

10. 4-(5-bromo-2-chloro-benzyl)-phenol

11. Akos016008069

12. Sb17546

13. Ac-29064

14. As-10217

15. Da-22435

16. 4-[(5-bromo-2-chloro-phenyl)methyl]phenol

17. Cs-0141423

18. Ft-0718315

19. C76807

2.3 Create Date

2012-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₀BrClO
Molecular Weight	297.57 g/mol
XLogP3	4.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	295.96036 g/mol
Monoisotopic Mass	295.96036 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	216
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

915095-89-5

End Use API

BEC Chemicals Pvt. Ltd., was founded by Late Mr. M. T. Shah in 1979 and is specialized in manufacturing o...

BEC Chemicals Pvt. Ltd., was founded by Late Mr. M. T. Shah in 1979 and is specialized in manufacturing of Active pharmaceutical Ingredients (API’s) and Intermediates. The company’s head office is based in Mumbai (close to the International Airport) and manufacturing unit at Roha (125 kms from Mumbai). The manufacturing unit has been approved by Indian, American ,European and Japanese Drug Authority and is EU-GMP, USFDA , WHO-GMP , State GMP and PMDA Certified. The company is ISO 9001:2008, 14001:2004, 18000:2007, OHSAS certified by SGS-UK.

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