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126917-10-0 | Benzoyl chloride, 2-fluoro-4-(trifluoromethyl)-
CAS No: 126917-10-0 Catalog No: AG000TH1 MDL No:MFCD00061155
Product Description
Catalog Number:
AG000TH1
Chemical Name:
Benzoyl chloride, 2-fluoro-4-(trifluoromethyl)-
CAS Number:
126917-10-0
Molecular Formula:
C8H3ClF4O
Molecular Weight:
226.5554
MDL Number:
MFCD00061155
IUPAC Name:
2-fluoro-4-(trifluoromethyl)benzoyl chloride
InChI:
InChI=1S/C8H3ClF4O/c9-7(14)5-2-1-4(3-6(5)10)8(11,12)13/h1-3H
InChI Key:
OOAHPLWBUUTFMV-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc(cc1F)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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