CAS 154607-01-9 manufacturers and suppliers on PharmaCompass

Chemistry

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Also known as: 154607-01-9, 2-chloro-4-bromobenzonitrile, Benzonitrile, 4-bromo-2-chloro-, Mfcd00040883, 4-bromo-2-chloro-benzonitrile, Schembl267151
Molecular Formula
C7H3BrClN
Molecular Weight
216.46  g/mol
InChI Key
AYQBMZNSJPVADT-UHFFFAOYSA-N

CAS 154607-01-9
1 2D Structure

CAS 154607-01-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-bromo-2-chlorobenzonitrile
2.1.2 InChI
InChI=1S/C7H3BrClN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H
2.1.3 InChI Key
AYQBMZNSJPVADT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C=C1Br)Cl)C#N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 154607-01-9

2. 2-chloro-4-bromobenzonitrile

3. Benzonitrile, 4-bromo-2-chloro-

4. Mfcd00040883

5. 4-bromo-2-chloro-benzonitrile

6. Schembl267151

7. Dtxsid10426651

8. Act00398

9. Zinc2390020

10. Td1119

11. Akos005259726

12. Am61342

13. Cs-w002192

14. 4-bromo-2-chlorobenzonitrile, Aldrichcpr

15. Ac-26118

16. As-18889

17. Sy009401

18. B4241

19. Ft-0617758

20. Ec 679-039-6

21. J-508724

2.3 Create Date
2006-07-29
3 Chemical and Physical Properties
Molecular Weight 216.46 g/mol
Molecular Formula C7H3BrClN
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass214.91374 g/mol
Monoisotopic Mass214.91374 g/mol
Topological Polar Surface Area23.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity162
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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