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1352215-62-3 | 3'-Chloro-2,2,3,3,3,4'-hexafluoropropiophenone
CAS No: 1352215-62-3 Catalog No: AG01FA21 MDL No:
Product Description
Catalog Number:
AG01FA21
Chemical Name:
3'-Chloro-2,2,3,3,3,4'-hexafluoropropiophenone
CAS Number:
1352215-62-3
Molecular Formula:
C9H3ClF6O
Molecular Weight:
276.5629
IUPAC Name:
1-(3-chloro-4-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-one
InChI:
InChI=1S/C9H3ClF6O/c10-5-3-4(1-2-6(5)11)7(17)8(12,13)9(14,15)16/h1-3H
InChI Key:
KNXMDFKHYIEQMV-UHFFFAOYSA-N
SMILES:
O=C(C(C(F)(F)F)(F)F)c1ccc(c(c1)Cl)F
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.978g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.562g/mol
Monoisotopic Mass:
275.978g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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