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13736-61-3 | 2-Propen-1-one, 1-(4-chlorophenyl)-3-(4-nitrophenyl)-
CAS No: 13736-61-3 Catalog No: AG00136C MDL No:
Product Description
Catalog Number:
AG00136C
Chemical Name:
2-Propen-1-one, 1-(4-chlorophenyl)-3-(4-nitrophenyl)-
CAS Number:
13736-61-3
Molecular Formula:
C15H10ClNO3
Molecular Weight:
287.6978
IUPAC Name:
1-(4-chlorophenyl)-3-(4-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C15H10ClNO3/c16-13-6-4-12(5-7-13)15(18)10-3-11-1-8-14(9-2-11)17(19)20/h1-10H
InChI Key:
JBXAGWCLKWPVFB-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)C=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.035g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.699g/mol
Monoisotopic Mass:
287.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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