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Home > Nitro Compounds > 861332-65-2
861332-65-2 | N-(3-nitrophenyl)ethanediamide
CAS No: 861332-65-2 Catalog No: AG01B83Y MDL No:MFCD28246385
Product Description
Catalog Number:
AG01B83Y
Chemical Name:
N-(3-nitrophenyl)ethanediamide
CAS Number:
861332-65-2
Molecular Formula:
C8H7N3O4
Molecular Weight:
209.1589
MDL Number:
MFCD28246385
IUPAC Name:
N'-(3-nitrophenyl)oxamide
InChI:
InChI=1S/C8H7N3O4/c9-7(12)8(13)10-5-2-1-3-6(4-5)11(14)15/h1-4H,(H2,9,12)(H,10,13)
InChI Key:
PJIBMTOUMHBAMK-UHFFFAOYSA-N
SMILES:
NC(=O)C(=O)Nc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.161g/mol
Monoisotopic Mass:
209.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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