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Home > Nitro Compounds > 88358-27-4
88358-27-4 | Benzamide, N-(2-methylpropyl)-2-nitro-
CAS No: 88358-27-4 Catalog No: AG004J4E MDL No:
Product Description
Catalog Number:
AG004J4E
Chemical Name:
Benzamide, N-(2-methylpropyl)-2-nitro-
CAS Number:
88358-27-4
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
IUPAC Name:
N-(2-methylpropyl)-2-nitrobenzamide
InChI:
InChI=1S/C11H14N2O3/c1-8(2)7-12-11(14)9-5-3-4-6-10(9)13(15)16/h3-6,8H,7H2,1-2H3,(H,12,14)
InChI Key:
YCQLFKGHOHITGK-UHFFFAOYSA-N
SMILES:
CC(CNC(=O)c1ccccc1[N+](=O)[O-])C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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