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23384-72-7 | 1-Propanone, 1-(3,4-difluorophenyl)-
CAS No: 23384-72-7 Catalog No: AG002N2O MDL No:MFCD00015505
Product Description
Catalog Number:
AG002N2O
Chemical Name:
1-Propanone, 1-(3,4-difluorophenyl)-
CAS Number:
23384-72-7
Molecular Formula:
C9H8F2O
Molecular Weight:
170.1560
MDL Number:
MFCD00015505
IUPAC Name:
1-(3,4-difluorophenyl)propan-1-one
InChI:
InChI=1S/C9H8F2O/c1-2-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3
InChI Key:
FSZOBSMJJFHVCQ-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc(c(c1)F)F
EC Number:
245-627-2
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:
2.5
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