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Home > Nitro Compounds > 66642-35-1
66642-35-1 | 2-Pyrrolidinecarboxamide, N-(4-nitrophenyl)-5-oxo-, (2S)-
CAS No: 66642-35-1 Catalog No: AG00IBM9 MDL No:MFCD00037884
Product Description
Catalog Number:
AG00IBM9
Chemical Name:
2-Pyrrolidinecarboxamide, N-(4-nitrophenyl)-5-oxo-, (2S)-
CAS Number:
66642-35-1
Molecular Formula:
C11H11N3O4
Molecular Weight:
249.2227
MDL Number:
MFCD00037884
IUPAC Name:
(2S)-N-(4-nitrophenyl)-5-oxopyrrolidine-2-carboxamide
InChI:
InChI=1S/C11H11N3O4/c15-10-6-5-9(13-10)11(16)12-7-1-3-8(4-2-7)14(17)18/h1-4,9H,5-6H2,(H,12,16)(H,13,15)/t9-/m0/s1
InChI Key:
HGNBEWLBSCSJGV-VIFPVBQESA-N
SMILES:
O=C1CC[C@H](N1)C(=O)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
249.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.226g/mol
Monoisotopic Mass:
249.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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