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1352215-14-5 | 2-Chloro-1-(3,4-difluorophenyl)-2,2-difluoroethanone
CAS No: 1352215-14-5 Catalog No: AG01F8H9 MDL No:
Product Description
Catalog Number:
AG01F8H9
Chemical Name:
2-Chloro-1-(3,4-difluorophenyl)-2,2-difluoroethanone
CAS Number:
1352215-14-5
Molecular Formula:
C8H3ClF4O
Molecular Weight:
226.5554
IUPAC Name:
2-chloro-1-(3,4-difluorophenyl)-2,2-difluoroethanone
InChI:
InChI=1S/C8H3ClF4O/c9-8(12,13)7(14)4-1-2-5(10)6(11)3-4/h1-3H
InChI Key:
DNOKCEKSAITFBZ-UHFFFAOYSA-N
SMILES:
O=C(C(Cl)(F)F)c1ccc(c(c1)F)F
Properties
Complexity:
233
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:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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