200,000+ products from a single source!
sales@angenechem.com
77778-87-1 | Benzoic acid, 2-[(cyanomethyl)phenylamino]-
CAS No: 77778-87-1 Catalog No: AG005G15 MDL No:
Product Description
Catalog Number:
AG005G15
Chemical Name:
Benzoic acid, 2-[(cyanomethyl)phenylamino]-
CAS Number:
77778-87-1
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
IUPAC Name:
2-[N-(cyanomethyl)anilino]benzoic acid
InChI:
InChI=1S/C15H12N2O2/c16-10-11-17(12-6-2-1-3-7-12)14-9-5-4-8-13(14)15(18)19/h1-9H,11H2,(H,18,19)
InChI Key:
FWOXWZRHPYCZBS-UHFFFAOYSA-N
SMILES:
N#CCN(c1ccccc1C(=O)O)c1ccccc1
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.