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88681-28-1 | 2-Propen-1-one, 1-[4-(methylphenylamino)phenyl]-3-(4-nitrophenyl)-
CAS No: 88681-28-1 Catalog No: AG00479F MDL No:
Product Description
Catalog Number:
AG00479F
Chemical Name:
2-Propen-1-one, 1-[4-(methylphenylamino)phenyl]-3-(4-nitrophenyl)-
CAS Number:
88681-28-1
Molecular Formula:
C22H18N2O3
Molecular Weight:
358.3899
IUPAC Name:
1-[4-(N-methylanilino)phenyl]-3-(4-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C22H18N2O3/c1-23(19-5-3-2-4-6-19)20-14-10-18(11-15-20)22(25)16-9-17-7-12-21(13-8-17)24(26)27/h2-16H,1H3
InChI Key:
YKNRCKOQVHTWSQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)N(c1ccccc1)C)C=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.132g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.397g/mol
Monoisotopic Mass:
358.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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