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Home > Nitro Compounds > 1311317-41-5
1311317-41-5 | N-(3-methyl-2-oxobutyl)-4-nitrobenzamide
CAS No: 1311317-41-5 Catalog No: AG01AITI MDL No:MFCD18917393
Product Description
Catalog Number:
AG01AITI
Chemical Name:
N-(3-methyl-2-oxobutyl)-4-nitrobenzamide
CAS Number:
1311317-41-5
Molecular Formula:
C12H14N2O4
Molecular Weight:
250.2506
MDL Number:
MFCD18917393
IUPAC Name:
N-(3-methyl-2-oxobutyl)-4-nitrobenzamide
InChI:
InChI=1S/C12H14N2O4/c1-8(2)11(15)7-13-12(16)9-3-5-10(6-4-9)14(17)18/h3-6,8H,7H2,1-2H3,(H,13,16)
InChI Key:
VCEHNDGQPCVWOD-UHFFFAOYSA-N
SMILES:
CC(C(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.254g/mol
Monoisotopic Mass:
250.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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