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6316-52-5 | N-(2-nitrophenyl)isobutyramide
CAS No: 6316-52-5 Catalog No: AG01DJIT MDL No:MFCD01214271
Product Description
Catalog Number:
AG01DJIT
Chemical Name:
N-(2-nitrophenyl)isobutyramide
CAS Number:
6316-52-5
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
MDL Number:
MFCD01214271
IUPAC Name:
2-methyl-N-(2-nitrophenyl)propanamide
InChI:
InChI=1S/C10H12N2O3/c1-7(2)10(13)11-8-5-3-4-6-9(8)12(14)15/h3-7H,1-2H3,(H,11,13)
InChI Key:
OBFKXTLYUKUWKH-UHFFFAOYSA-N
SMILES:
O=C(C(C)C)Nc1ccccc1[N+](=O)[O-]
NSC Number:
22550
Properties
Complexity:
248
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:
2
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