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71648-45-8 | 1-(2-Chloro-5-(trifluoromethyl)phenyl)ethanone
CAS No: 71648-45-8 Catalog No: AG003CTM MDL No:MFCD00045092
Product Description
Catalog Number:
AG003CTM
Chemical Name:
1-(2-Chloro-5-(trifluoromethyl)phenyl)ethanone
CAS Number:
71648-45-8
Molecular Formula:
C9H6ClF3O
Molecular Weight:
222.5915
MDL Number:
MFCD00045092
IUPAC Name:
1-[2-chloro-5-(trifluoromethyl)phenyl]ethanone
InChI:
InChI=1S/C9H6ClF3O/c1-5(14)7-4-6(9(11,12)13)2-3-8(7)10/h2-4H,1H3
InChI Key:
YRGBMTWHOFQSDJ-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(ccc1Cl)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:
3.1
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