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CAS 421552-12-7

Chemistry, 1 End Use API, 9 Related Intermediates

Manufacturers/Suppliers

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Also known as: 421552-12-7, 2-(bromomethyl)-4-fluorobenzonitrile, 2-cyano-5-fluorobenzylbromide, 2-bromomethyl-4-fluoro-benzonitrile, 2-bromomethyl-4-fluorobenzonitrile, Mfcd08059542

Molecular Formula

C₈H₅BrFN

Molecular Weight

214.03 g/mol

InChI Key

CHCAGFNTASDQFX-UHFFFAOYSA-N

1 2D Structure

CAS 421552-12-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(bromomethyl)-4-fluorobenzonitrile

2.1.2 InChI

InChI=1S/C8H5BrFN/c9-4-7-3-8(10)2-1-6(7)5-11/h1-3H,4H2

2.1.3 InChI Key

CHCAGFNTASDQFX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1F)CBr)C#N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 421552-12-7

2. 2-(bromomethyl)-4-fluorobenzonitrile

3. 2-cyano-5-fluorobenzylbromide

4. 2-bromomethyl-4-fluoro-benzonitrile

5. 2-bromomethyl-4-fluorobenzonitrile

6. Mfcd08059542

7. 2-cyano-5-fluoro Benzyl Bromide

8. C8h5brfn

9. Schembl305457

10. Dtxsid30621181

11. Bcp10851

12. Cl8698

13. Zinc14989238

14. 2-(bromonnethyl)-4-fluorobenzonitrile

15. Akos005063924

16. Am62185

17. Cs-w019482

18. Ac-28021

19. Ds-13966

20. Sy013096

21. Ft-0646215

22. Ft-0698405

23. A22374

24. 552c127

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₈H₅BrFN
Molecular Weight	214.03 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	212.95894 g/mol
Monoisotopic Mass	212.95894 g/mol
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	174
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

4318-56-3

End Use API

Nanjing Lift Pharmaceutical is a specialized company concentrating on the R&D, production, marketing and ...

Nanjing Lift Pharmaceutical is a specialized company concentrating on the R&D, production, marketing and technical service of APIs, pharmaceutical intermediates and specialty chemicals. The marketing department is located in Nanjing. We have two GMP facilities in Jiangsu Province and cooperative factories in Zhejiang Province. The leading products range of the company is oncology and anti-diabetes . We also specialize in custom synthesis and contract research which demonstrates our state-of-the-art technology and capacity of synthesis.

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