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Home > Fluorides > 216144-68-2
216144-68-2 | 3-Fluoro-4-(trifluoromethyl)benzoyl chloride
CAS No: 216144-68-2 Catalog No: AG003JFN MDL No:MFCD00236284
Product Description
Catalog Number:
AG003JFN
Chemical Name:
3-Fluoro-4-(trifluoromethyl)benzoyl chloride
CAS Number:
216144-68-2
Molecular Formula:
C8H3ClF4O
Molecular Weight:
226.5554
MDL Number:
MFCD00236284
IUPAC Name:
3-fluoro-4-(trifluoromethyl)benzoyl chloride
InChI:
InChI=1S/C8H3ClF4O/c9-7(14)4-1-2-5(6(10)3-4)8(11,12)13/h1-3H
InChI Key:
DPDAEMNQJYDHRQ-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc(c(c1)F)C(F)(F)F
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.981g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.555g/mol
Monoisotopic Mass:
225.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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