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88486-14-0 | Benzoic acid, 4-[cyano[(3,4-dichlorophenyl)amino]methyl]-
CAS No: 88486-14-0 Catalog No: AG0049VZ MDL No:
Product Description
Catalog Number:
AG0049VZ
Chemical Name:
Benzoic acid, 4-[cyano[(3,4-dichlorophenyl)amino]methyl]-
CAS Number:
88486-14-0
Molecular Formula:
C15H10Cl2N2O2
Molecular Weight:
321.1581
IUPAC Name:
4-[cyano-(3,4-dichloroanilino)methyl]benzoic acid
InChI:
InChI=1S/C15H10Cl2N2O2/c16-12-6-5-11(7-13(12)17)19-14(8-18)9-1-3-10(4-2-9)15(20)21/h1-7,14,19H,(H,20,21)
InChI Key:
KFKZOHAWPKIFBG-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1)C(=O)O)Nc1ccc(c(c1)Cl)Cl
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.012g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
321.157g/mol
Monoisotopic Mass:
320.012g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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