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109227-12-5 | 2-FLUORO-6-(TRIFLUOROMETHYL)BENZOYL CHLORIDE
CAS No: 109227-12-5 Catalog No: AG003HAR MDL No:MFCD00061160
Product Description
Catalog Number:
AG003HAR
Chemical Name:
2-FLUORO-6-(TRIFLUOROMETHYL)BENZOYL CHLORIDE
CAS Number:
109227-12-5
Molecular Formula:
C8H3ClF4O
Molecular Weight:
226.5554
MDL Number:
MFCD00061160
IUPAC Name:
2-fluoro-6-(trifluoromethyl)benzoyl chloride
InChI:
InChI=1S/C8H3ClF4O/c9-7(14)6-4(8(11,12)13)2-1-3-5(6)10/h1-3H
InChI Key:
ZDRYDSJMVRRAAF-UHFFFAOYSA-N
SMILES:
ClC(=O)c1c(F)cccc1C(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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