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Home > Bromides > 1261582-91-5
1261582-91-5 | Benzoic acid, 2-(bromomethyl)-6-cyano-
CAS No: 1261582-91-5 Catalog No: AG000RUK MDL No:MFCD18392085
Product Description
Catalog Number:
AG000RUK
Chemical Name:
Benzoic acid, 2-(bromomethyl)-6-cyano-
CAS Number:
1261582-91-5
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
MDL Number:
MFCD18392085
IUPAC Name:
2-(bromomethyl)-6-cyanobenzoic acid
InChI:
InChI=1S/C9H6BrNO2/c10-4-6-2-1-3-7(5-11)8(6)9(12)13/h1-3H,4H2,(H,12,13)
InChI Key:
GEZKFKDIILUORA-UHFFFAOYSA-N
SMILES:
BrCc1cccc(c1C(=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
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