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1208076-12-3 | 4'-Chloro-2,2,2,2',6'-pentafluoroacetophenone
CAS No: 1208076-12-3 Catalog No: AG01FA94 MDL No:MFCD12922632
Product Description
Catalog Number:
AG01FA94
Chemical Name:
4'-Chloro-2,2,2,2',6'-pentafluoroacetophenone
CAS Number:
1208076-12-3
Molecular Formula:
C8H2ClF5O
Molecular Weight:
244.5459
MDL Number:
MFCD12922632
IUPAC Name:
1-(4-chloro-2,6-difluorophenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C8H2ClF5O/c9-3-1-4(10)6(5(11)2-3)7(15)8(12,13)14/h1-2H
InChI Key:
JUUNDHAGUIRDDJ-UHFFFAOYSA-N
SMILES:
Clc1cc(F)c(c(c1)F)C(=O)C(F)(F)F
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.971g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.545g/mol
Monoisotopic Mass:
243.971g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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