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Home > Nitro Compounds > 1085449-49-5
1085449-49-5 | (2E)-N-benzyl-3-(3-nitrophenyl)prop-2-enamide
CAS No: 1085449-49-5 Catalog No: AG00ISUX MDL No:MFCD00169798
Product Description
Catalog Number:
AG00ISUX
Chemical Name:
(2E)-N-benzyl-3-(3-nitrophenyl)prop-2-enamide
CAS Number:
1085449-49-5
Molecular Formula:
C16H14N2O3
Molecular Weight:
282.2940
MDL Number:
MFCD00169798
IUPAC Name:
N-benzyl-3-(3-nitrophenyl)prop-2-enamide
InChI:
InChI=1S/C16H14N2O3/c19-16(17-12-14-5-2-1-3-6-14)10-9-13-7-4-8-15(11-13)18(20)21/h1-11H,12H2,(H,17,19)
InChI Key:
MIMUATZTMMEUDC-UHFFFAOYSA-N
SMILES:
O=C(NCc1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.299g/mol
Monoisotopic Mass:
282.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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