200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1261671-00-4
1261671-00-4 | Benzoic acid, 2-(bromomethyl)-5-cyano-
CAS No: 1261671-00-4 Catalog No: AG000RXJ MDL No:
Product Description
Catalog Number:
AG000RXJ
Chemical Name:
Benzoic acid, 2-(bromomethyl)-5-cyano-
CAS Number:
1261671-00-4
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
IUPAC Name:
2-(bromomethyl)-5-cyanobenzoic acid
InChI:
InChI=1S/C9H6BrNO2/c10-4-7-2-1-6(5-11)3-8(7)9(12)13/h1-3H,4H2,(H,12,13)
InChI Key:
CJCNOBKTWGCYDR-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1C(=O)O)C#N
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.958g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.056g/mol
Monoisotopic Mass:
238.958g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.