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121872-94-4 | Ethanone, 1-(2-chloro-4,5-difluorophenyl)-
CAS No: 121872-94-4 Catalog No: AG001671 MDL No:MFCD00671761
Product Description
Catalog Number:
AG001671
Chemical Name:
Ethanone, 1-(2-chloro-4,5-difluorophenyl)-
CAS Number:
121872-94-4
Molecular Formula:
C8H5ClF2O
Molecular Weight:
190.5745
MDL Number:
MFCD00671761
IUPAC Name:
1-(2-chloro-4,5-difluorophenyl)ethanone
InChI:
InChI=1S/C8H5ClF2O/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-3H,1H3
InChI Key:
BNODNMUCMFITCS-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(F)c(cc1Cl)F
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.574g/mol
Monoisotopic Mass:
190g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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