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CAS 333361-51-6

Chemistry, 2 End Use API, 158 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

32384-65-9

End Use API

Dapagliflozin

About the Company

Established in 1999, Hankang Pharmaceutical Group stands as a prominent CRO-CDMO integrated service enter...

Established in 1999, Hankang Pharmaceutical Group stands as a prominent CRO-CDMO integrated service enterprise in China. Focused on generic drugs while venturing into innovative ones, the group is dedicated to offering comprehensive solutions to the industry. Presently, Hankang has crafted over 200 varieties for 600+ domestic and international companies, serving 10+ innovative drugs. It has successfully developed more than 10 initial generic drugs, with over 20 varieties endorsed by the top three domestic companies and 30 exceeding a 100 million output value.

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