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1261673-82-8 | Benzamide, 4-cyano-2-methyl-
CAS No: 1261673-82-8 Catalog No: AG000RXE MDL No:MFCD18394307
Product Description
Catalog Number:
AG000RXE
Chemical Name:
Benzamide, 4-cyano-2-methyl-
CAS Number:
1261673-82-8
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD18394307
IUPAC Name:
4-cyano-2-methylbenzamide
InChI:
InChI=1S/C9H8N2O/c1-6-4-7(5-10)2-3-8(6)9(11)12/h2-4H,1H3,(H2,11,12)
InChI Key:
CEBPBELRNHBPSH-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C)C(=O)N
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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