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Home > Fluorides > 1256468-29-7
1256468-29-7 | 3',4'-Difluoro-5'-methoxy-2,2,2-trifluoroacetophenone
CAS No: 1256468-29-7 Catalog No: AG01F87B MDL No:
Product Description
Catalog Number:
AG01F87B
Chemical Name:
3',4'-Difluoro-5'-methoxy-2,2,2-trifluoroacetophenone
CAS Number:
1256468-29-7
Molecular Formula:
C9H5F5O2
Molecular Weight:
240.1268
IUPAC Name:
1-(3,4-difluoro-5-methoxyphenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C9H5F5O2/c1-16-6-3-4(2-5(10)7(6)11)8(15)9(12,13)14/h2-3H,1H3
InChI Key:
DVLOVIRXQSYIBP-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1F)F)C(=O)C(F)(F)F
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.129g/mol
Monoisotopic Mass:
240.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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