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Home > Fluorides > 140675-42-9
140675-42-9 | Ethanone, 1-(3,5-difluoro-2-hydroxyphenyl)-
CAS No: 140675-42-9 Catalog No: AG001COH MDL No:MFCD00042476
Product Description
Catalog Number:
AG001COH
Chemical Name:
Ethanone, 1-(3,5-difluoro-2-hydroxyphenyl)-
CAS Number:
140675-42-9
Molecular Formula:
C8H6F2O2
Molecular Weight:
172.1288
MDL Number:
MFCD00042476
IUPAC Name:
1-(3,5-difluoro-2-hydroxyphenyl)ethanone
InChI:
InChI=1S/C8H6F2O2/c1-4(11)6-2-5(9)3-7(10)8(6)12/h2-3,12H,1H3
InChI Key:
MCDJUVXLLXTCFP-UHFFFAOYSA-N
SMILES:
Fc1cc(F)c(c(c1)C(=O)C)O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.034g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.131g/mol
Monoisotopic Mass:
172.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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