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101712-19-0 | 2-Propanone, 1-(2,3-difluorophenyl)-
CAS No: 101712-19-0 Catalog No: AG0005AF MDL No:MFCD00061141
Product Description
Catalog Number:
AG0005AF
Chemical Name:
2-Propanone, 1-(2,3-difluorophenyl)-
CAS Number:
101712-19-0
Molecular Formula:
C9H8F2O
Molecular Weight:
170.1560
MDL Number:
MFCD00061141
IUPAC Name:
1-(2,3-difluorophenyl)propan-1-one
InChI:
InChI=1S/C9H8F2O/c1-2-8(12)6-4-3-5-7(10)9(6)11/h3-5H,2H2,1H3
InChI Key:
YJTONCLNMFGPAE-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1cccc(c1F)F
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.159g/mol
Monoisotopic Mass:
170.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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