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139521-25-8 | 2-Propanone, 3-(3-chlorophenyl)-1,1,1-trifluoro-
CAS No: 139521-25-8 Catalog No: AG001B6Q MDL No:
Product Description
Catalog Number:
AG001B6Q
Chemical Name:
2-Propanone, 3-(3-chlorophenyl)-1,1,1-trifluoro-
CAS Number:
139521-25-8
Molecular Formula:
C9H6ClF3O
Molecular Weight:
222.5915
IUPAC Name:
3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-one
InChI:
InChI=1S/C9H6ClF3O/c10-7-3-1-2-6(4-7)5-8(14)9(11,12)13/h1-4H,5H2
InChI Key:
AOVHCMRAEYZKQT-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)CC(=O)C(F)(F)F
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.006g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.591g/mol
Monoisotopic Mass:
222.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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