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845823-13-4 | 1-(4-Chloro-2-methylphenyl);-2,2,2-trifluoroethanone
CAS No: 845823-13-4 Catalog No: AG004R05 MDL No:MFCD06201807
Product Description
Catalog Number:
AG004R05
Chemical Name:
1-(4-Chloro-2-methylphenyl);-2,2,2-trifluoroethanone
CAS Number:
845823-13-4
Molecular Formula:
C9H6ClF3O
Molecular Weight:
222.5915
MDL Number:
MFCD06201807
IUPAC Name:
1-(4-chloro-2-methylphenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C9H6ClF3O/c1-5-4-6(10)2-3-7(5)8(14)9(11,12)13/h2-4H,1H3
InChI Key:
SJBSFYVEKYGCAS-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C)C(=O)C(F)(F)F
Properties
Complexity:
227
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:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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