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Home > Nitro Compounds > 331462-24-9
331462-24-9 | (2E)-3-(3-nitrophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CAS No: 331462-24-9 Catalog No: AG00ISUU MDL No:MFCD00169790
Product Description
Catalog Number:
AG00ISUU
Chemical Name:
(2E)-3-(3-nitrophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CAS Number:
331462-24-9
Molecular Formula:
C21H16N2O4
Molecular Weight:
360.3627
MDL Number:
MFCD00169790
IUPAC Name:
(E)-3-(3-nitrophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
InChI:
InChI=1S/C21H16N2O4/c24-21(14-9-16-5-4-6-18(15-16)23(25)26)22-17-10-12-20(13-11-17)27-19-7-2-1-3-8-19/h1-15H,(H,22,24)/b14-9+
InChI Key:
LMXQMCQSHFJTQU-NTEUORMPSA-N
SMILES:
O=C(Nc1ccc(cc1)Oc1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
360.111g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.369g/mol
Monoisotopic Mass:
360.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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