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Home > Nitro Compounds > 308292-47-9
308292-47-9 | (2E)-N-(2,5-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
CAS No: 308292-47-9 Catalog No: AG00ISUT MDL No:MFCD00169788
Product Description
Catalog Number:
AG00ISUT
Chemical Name:
(2E)-N-(2,5-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
CAS Number:
308292-47-9
Molecular Formula:
C17H16N2O5
Molecular Weight:
328.3193
MDL Number:
MFCD00169788
IUPAC Name:
N-(2,5-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
InChI:
InChI=1S/C17H16N2O5/c1-23-14-7-8-16(24-2)15(11-14)18-17(20)9-6-12-4-3-5-13(10-12)19(21)22/h3-11H,1-2H3,(H,18,20)
InChI Key:
ORHCOBZTDWNNJG-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)NC(=O)/C=C/c1cccc(c1)[N+](=O)[O-])OC
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.106g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.324g/mol
Monoisotopic Mass:
328.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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