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Home > Nitro Compounds > 644980-03-0
644980-03-0 | Benzamide, N-(1-benzoyl-2,2-dimethylpropyl)-4-nitro-
CAS No: 644980-03-0 Catalog No: AG00H6UJ MDL No:
Product Description
Catalog Number:
AG00H6UJ
Chemical Name:
Benzamide, N-(1-benzoyl-2,2-dimethylpropyl)-4-nitro-
CAS Number:
644980-03-0
Molecular Formula:
C19H20N2O4
Molecular Weight:
340.3731
IUPAC Name:
N-(3,3-dimethyl-1-oxo-1-phenylbutan-2-yl)-4-nitrobenzamide
InChI:
InChI=1S/C19H20N2O4/c1-19(2,3)17(16(22)13-7-5-4-6-8-13)20-18(23)14-9-11-15(12-10-14)21(24)25/h4-12,17H,1-3H3,(H,20,23)
InChI Key:
MUWDANAVTBCEDB-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])NC(C(C)(C)C)C(=O)c1ccccc1
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.142g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.379g/mol
Monoisotopic Mass:
340.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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