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886370-93-0 | 2'-Chloro-4'-fluoro-2,2,2-trifluoroacetophenone
CAS No: 886370-93-0 Catalog No: AG0049L8 MDL No:MFCD02260840
Product Description
Catalog Number:
AG0049L8
Chemical Name:
2'-Chloro-4'-fluoro-2,2,2-trifluoroacetophenone
CAS Number:
886370-93-0
Molecular Formula:
C8H3ClF4O
Molecular Weight:
226.5554
MDL Number:
MFCD02260840
IUPAC Name:
1-(2-chloro-4-fluorophenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C8H3ClF4O/c9-6-3-4(10)1-2-5(6)7(14)8(11,12)13/h1-3H
InChI Key:
ICNBOISSWGIKPM-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)Cl)C(=O)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:
3.5
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