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Home > Nitro Compounds > 298217-73-9
298217-73-9 | (2E)-N-(3,4-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CAS No: 298217-73-9 Catalog No: AG00ISUW MDL No:MFCD00169796
Product Description
Catalog Number:
AG00ISUW
Chemical Name:
(2E)-N-(3,4-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CAS Number:
298217-73-9
Molecular Formula:
C17H16N2O3
Molecular Weight:
296.3205
MDL Number:
MFCD00169796
IUPAC Name:
N-(3,4-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
InChI:
InChI=1S/C17H16N2O3/c1-12-6-8-15(10-13(12)2)18-17(20)9-7-14-4-3-5-16(11-14)19(21)22/h3-11H,1-2H3,(H,18,20)
InChI Key:
AUXFNOMDTIZTSH-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(c(c1)C)C)/C=C/c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.326g/mol
Monoisotopic Mass:
296.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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