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129825-11-2 | Ethanone, 1-[4-chloro-3-(trifluoromethyl)phenyl]-
CAS No: 129825-11-2 Catalog No: AG000TQR MDL No:MFCD03094146
Product Description
Catalog Number:
AG000TQR
Chemical Name:
Ethanone, 1-[4-chloro-3-(trifluoromethyl)phenyl]-
CAS Number:
129825-11-2
Molecular Formula:
C9H6ClF3O
Molecular Weight:
222.5915
MDL Number:
MFCD03094146
IUPAC Name:
1-[4-chloro-3-(trifluoromethyl)phenyl]ethanone
InChI:
InChI=1S/C9H6ClF3O/c1-5(14)6-2-3-8(10)7(4-6)9(11,12)13/h2-4H,1H3
InChI Key:
UYNMUXTXDHJBEN-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(c(c1)C(F)(F)F)Cl
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:
3.8
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