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138950-23-9 | 1-Propanone, 2-chloro-3,3,3-trifluoro-1-phenyl-
CAS No: 138950-23-9 Catalog No: AG0019WM MDL No:
Product Description
Catalog Number:
AG0019WM
Chemical Name:
1-Propanone, 2-chloro-3,3,3-trifluoro-1-phenyl-
CAS Number:
138950-23-9
Molecular Formula:
C9H6ClF3O
Molecular Weight:
222.5915
IUPAC Name:
2-chloro-3,3,3-trifluoro-1-phenylpropan-1-one
InChI:
InChI=1S/C9H6ClF3O/c10-8(9(11,12)13)7(14)6-4-2-1-3-5-6/h1-5,8H
InChI Key:
OCZFOMRYZRKZLJ-UHFFFAOYSA-N
SMILES:
ClC(C(F)(F)F)C(=O)c1ccccc1
Properties
Complexity:
209
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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