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126443-14-9 | 2-Propen-1-one, 1-(4-chlorophenyl)-3-(4-fluorophenyl)-, (2E)-
CAS No: 126443-14-9 Catalog No: AG000STH MDL No:
Product Description
Catalog Number:
AG000STH
Chemical Name:
2-Propen-1-one, 1-(4-chlorophenyl)-3-(4-fluorophenyl)-, (2E)-
CAS Number:
126443-14-9
Molecular Formula:
C15H10ClFO
Molecular Weight:
260.6907
IUPAC Name:
1-(4-chlorophenyl)-3-(4-fluorophenyl)prop-2-en-1-one
InChI:
InChI=1S/C15H10ClFO/c16-13-6-4-12(5-7-13)15(18)10-3-11-1-8-14(17)9-2-11/h1-10H
InChI Key:
PLCRXLPQUCVAPP-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)/C=C/C(=O)c1ccc(cc1)Cl
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.04g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.692g/mol
Monoisotopic Mass:
260.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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