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Home > Fluorides > 123577-99-1
123577-99-1 | Ethanone, 1-(3,5-difluorophenyl)-
CAS No: 123577-99-1 Catalog No: AG000KT9 MDL No:MFCD00042489
Product Description
Catalog Number:
AG000KT9
Chemical Name:
Ethanone, 1-(3,5-difluorophenyl)-
CAS Number:
123577-99-1
Molecular Formula:
C8H6F2O
Molecular Weight:
156.1294
MDL Number:
MFCD00042489
IUPAC Name:
1-(3,5-difluorophenyl)ethanone
InChI:
InChI=1S/C8H6F2O/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3
InChI Key:
OXJLDNSPGPBDCP-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(F)cc(c1)F
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.039g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.132g/mol
Monoisotopic Mass:
156.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| (E)-1-(3,5-Difluoro-phen-yl)-3-(2,4-dimeth-oxy-phen-yl)prop-2-en-1-one. | Acta crystallographica. Section E, Structure reports online 20101001 |
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