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Home > Nitro Compounds > 1085449-53-1
1085449-53-1 | (2E)-N-Benzyl-3-(2-nitrophenyl)acrylamide
CAS No: 1085449-53-1 Catalog No: AG00HB6F MDL No:MFCD03638952
Product Description
Catalog Number:
AG00HB6F
Chemical Name:
(2E)-N-Benzyl-3-(2-nitrophenyl)acrylamide
CAS Number:
1085449-53-1
Molecular Formula:
C16H14N2O3
Molecular Weight:
282.2940
MDL Number:
MFCD03638952
IUPAC Name:
(E)-N-benzyl-3-(2-nitrophenyl)prop-2-enamide
InChI:
InChI=1S/C16H14N2O3/c19-16(17-12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-15(14)18(20)21/h1-11H,12H2,(H,17,19)/b11-10+
InChI Key:
DHBJTRCBAOYABB-ZHACJKMWSA-N
SMILES:
O=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1ccccc1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
0
XLogP3:
2.7
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