CAS 333361-51-6

Chemistry, 2 End Use API, 155 Related Intermediates

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Also known as: 333361-51-6, 4-bromo-1-chloro-2-(4-methoxybenzyl)benzene, 4-bromo-1-chloro-2-[(4-methoxyphenyl)methyl]benzene, Dapagliflozin impurity 20, Schembl181109, Zinc113265646

Molecular Formula

C₁₄H₁₂BrClO

Molecular Weight

311.60 g/mol

InChI Key

QBMACPLNLMUFGJ-UHFFFAOYSA-N

1 2D Structure

CAS 333361-51-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-bromo-1-chloro-2-[(4-methoxyphenyl)methyl]benzene

2.1.2 InChI

InChI=1S/C14H12BrClO/c1-17-13-5-2-10(3-6-13)8-11-9-12(15)4-7-14(11)16/h2-7,9H,8H2,1H3

2.1.3 InChI Key

QBMACPLNLMUFGJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=C(C=C1)CC2=C(C=CC(=C2)Br)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 333361-51-6

2. 4-bromo-1-chloro-2-(4-methoxybenzyl)benzene

3. 4-bromo-1-chloro-2-[(4-methoxyphenyl)methyl]benzene

4. Dapagliflozin Impurity 20

5. Schembl181109

6. Zinc113265646

7. Da-28143

8. Cs-0165483

9. Ft-0760389

10. 1-bromo-4-chloro-3-(4-methoxybenzyl)benzene

11. 4-bromo-1-chloro-2-(4-methoxybenzyl)-benzene

12. 1-bromo-4-chloro-3-(4-methoxy-benzyl)-benzene

13. 4-bromo-1-chloro-2-(4-methoxy-benzyl)-benzene

14. 4-bromo-1 -chloro-2-(4-methoxv-benzyl)-benzene

15. 4-bromo-1-chloro-2-(4-methoxybenzyl)benzene? (dapagliflozin Impurity Pound(c)

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₂BrClO
Molecular Weight	311.60 g/mol
XLogP3	5.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	9.2
Heavy Atom Count	17
Formal Charge	0
Complexity	228
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

333361-51-6

Intermediate Name

4-Bromo-1-Chloro-2-(4-Methoxybenzyl...

About the Company

SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma i...

SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma intermediates, fine chemicals and pyridine derivatives for the domestic as well as international market. SS Pharma’s research activities extend from the development of active pharmaceuticals to fixed dose formulations for regulated markets. Its manufacturing facilities are state-of-the-art, multipurpose sites that comply with cGMP standards and meet the requirements of the US and EU drug regulatory authorities. SS Pharma is a CGMP, ISO 9001-2008 and ISO 14000:2004 certified company.

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