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860682-30-0 | Benzamide, 4-cyano-N-(1,1,3,3-tetramethylbutyl)-
CAS No: 860682-30-0 Catalog No: AG004LPM MDL No:
Product Description
Catalog Number:
AG004LPM
Chemical Name:
Benzamide, 4-cyano-N-(1,1,3,3-tetramethylbutyl)-
CAS Number:
860682-30-0
Molecular Formula:
C16H22N2O
Molecular Weight:
258.3587
IUPAC Name:
4-cyano-N-(2,4,4-trimethylpentan-2-yl)benzamide
InChI:
InChI=1S/C16H22N2O/c1-15(2,3)11-16(4,5)18-14(19)13-8-6-12(10-17)7-9-13/h6-9H,11H2,1-5H3,(H,18,19)
InChI Key:
MGZQNPJFHHDXOK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=O)NC(CC(C)(C)C)(C)C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.365g/mol
Monoisotopic Mass:
258.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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