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Home > Nitro Compounds > 77252-57-4
77252-57-4 | N-(2-Methyl-5-nitro-phenyl)-propionamide
CAS No: 77252-57-4 Catalog No: AG01FC4Z MDL No:
Product Description
Catalog Number:
AG01FC4Z
Chemical Name:
N-(2-Methyl-5-nitro-phenyl)-propionamide
CAS Number:
77252-57-4
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
IUPAC Name:
N-(2-methyl-5-nitrophenyl)propanamide
InChI:
InChI=1S/C10H12N2O3/c1-3-10(13)11-9-6-8(12(14)15)5-4-7(9)2/h4-6H,3H2,1-2H3,(H,11,13)
InChI Key:
ZZYUACZQNLQTQG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(NC(=O)CC)c(cc1)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.217g/mol
Monoisotopic Mass:
208.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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