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113523-84-5 | 2-Butene-1,4-dione, 2-[(4-chlorophenyl)amino]-1,4-diphenyl-
CAS No: 113523-84-5 Catalog No: AG0008VE MDL No:
Product Description
Catalog Number:
AG0008VE
Chemical Name:
2-Butene-1,4-dione, 2-[(4-chlorophenyl)amino]-1,4-diphenyl-
CAS Number:
113523-84-5
Molecular Formula:
C22H16ClNO2
Molecular Weight:
361.8209
IUPAC Name:
2-(4-chloroanilino)-1,4-diphenylbut-2-ene-1,4-dione
InChI:
InChI=1S/C22H16ClNO2/c23-18-11-13-19(14-12-18)24-20(22(26)17-9-5-2-6-10-17)15-21(25)16-7-3-1-4-8-16/h1-15,24H
InChI Key:
PJBWCIJKBDSNNU-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)NC(=CC(=O)c1ccccc1)C(=O)c1ccccc1
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.087g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.825g/mol
Monoisotopic Mass:
361.087g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.1
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