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Home > Nitro Compounds > 856243-82-8
856243-82-8 | 2-Propenamide, 2-cyano-3-(4-nitrophenyl)-N-(phenylmethyl)-, (2E)-
CAS No: 856243-82-8 Catalog No: AG004TNQ MDL No:
Product Description
Catalog Number:
AG004TNQ
Chemical Name:
2-Propenamide, 2-cyano-3-(4-nitrophenyl)-N-(phenylmethyl)-, (2E)-
CAS Number:
856243-82-8
Molecular Formula:
C17H13N3O3
Molecular Weight:
307.3034
IUPAC Name:
N-benzyl-2-cyano-3-(4-nitrophenyl)prop-2-enamide
InChI:
InChI=1S/C17H13N3O3/c18-11-15(10-13-6-8-16(9-7-13)20(22)23)17(21)19-12-14-4-2-1-3-5-14/h1-10H,12H2,(H,19,21)
InChI Key:
GBMZRAHROINDEX-UHFFFAOYSA-N
SMILES:
N#C/C(=C\c1ccc(cc1)[N+](=O)[O-])/C(=O)NCc1ccccc1
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.096g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.309g/mol
Monoisotopic Mass:
307.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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