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Home > Nitro Compounds > 88875-47-2
88875-47-2 | Benzamide, N-[cyano(4-nitrophenyl)methyl]-4-nitro-N-(phenylmethyl)-
CAS No: 88875-47-2 Catalog No: AG004AGQ MDL No:
Product Description
Catalog Number:
AG004AGQ
Chemical Name:
Benzamide, N-[cyano(4-nitrophenyl)methyl]-4-nitro-N-(phenylmethyl)-
CAS Number:
88875-47-2
Molecular Formula:
C22H16N4O5
Molecular Weight:
416.3862
IUPAC Name:
N-benzyl-N-[cyano-(4-nitrophenyl)methyl]-4-nitrobenzamide
InChI:
InChI=1S/C22H16N4O5/c23-14-21(17-6-10-19(11-7-17)25(28)29)24(15-16-4-2-1-3-5-16)22(27)18-8-12-20(13-9-18)26(30)31/h1-13,21H,15H2
InChI Key:
PPMMXFJVFAPFND-UHFFFAOYSA-N
SMILES:
N#CC(N(C(=O)c1ccc(cc1)[N+](=O)[O-])Cc1ccccc1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
687
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.112g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.393g/mol
Monoisotopic Mass:
416.112g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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