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Home > Nitro Compounds > 880150-44-7
880150-44-7 | Ethanediamide, N-(4-nitrophenyl)-N'-(phenylmethyl)-
CAS No: 880150-44-7 Catalog No: AG004GOJ MDL No:
Product Description
Catalog Number:
AG004GOJ
Chemical Name:
Ethanediamide, N-(4-nitrophenyl)-N'-(phenylmethyl)-
CAS Number:
880150-44-7
Molecular Formula:
C15H13N3O4
Molecular Weight:
299.2814
IUPAC Name:
N-benzyl-N'-(4-nitrophenyl)oxamide
InChI:
InChI=1S/C15H13N3O4/c19-14(16-10-11-4-2-1-3-5-11)15(20)17-12-6-8-13(9-7-12)18(21)22/h1-9H,10H2,(H,16,19)(H,17,20)
InChI Key:
GRUXOWFIFAQNFV-UHFFFAOYSA-N
SMILES:
O=C(C(=O)NCc1ccccc1)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.091g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.286g/mol
Monoisotopic Mass:
299.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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