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13670-99-0 | Ethanone, 1-(2,6-difluorophenyl)-
CAS No: 13670-99-0 Catalog No: AG00128R MDL No:MFCD00000328
Product Description
Catalog Number:
AG00128R
Chemical Name:
Ethanone, 1-(2,6-difluorophenyl)-
CAS Number:
13670-99-0
Molecular Formula:
C8H6F2O
Molecular Weight:
156.1294
MDL Number:
MFCD00000328
IUPAC Name:
1-(2,6-difluorophenyl)ethanone
InChI:
InChI=1S/C8H6F2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3
InChI Key:
VGIIILXIQLXVLC-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(F)cccc1F
EC Number:
237-151-9
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 |
|---|---|
| 1H-Pyrazolo[3,4-b]pyridine inhibitors of cyclin-dependent kinases: highly potent 2,6-Difluorophenacyl analogues. | Bioorganic & medicinal chemistry letters 20030721 |
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