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Home > Nitro Compounds > 1090012-11-5
1090012-11-5 | N-(2-nitrophenyl)pyrrolidine-1-carboxamide
CAS No: 1090012-11-5 Catalog No: AG019UKR MDL No:MFCD11728278
Product Description
Catalog Number:
AG019UKR
Chemical Name:
N-(2-nitrophenyl)pyrrolidine-1-carboxamide
CAS Number:
1090012-11-5
Molecular Formula:
C11H13N3O3
Molecular Weight:
235.2392
MDL Number:
MFCD11728278
IUPAC Name:
N-(2-nitrophenyl)pyrrolidine-1-carboxamide
InChI:
InChI=1S/C11H13N3O3/c15-11(13-7-3-4-8-13)12-9-5-1-2-6-10(9)14(16)17/h1-2,5-6H,3-4,7-8H2,(H,12,15)
InChI Key:
GVXZLOXHFCMWRT-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1)Nc1ccccc1[N+](=O)[O-]
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.243g/mol
Monoisotopic Mass:
235.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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