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Home > Fluorides > 1208077-45-5
1208077-45-5 | 2'-Methoxy-2,2,2,3',6'-pentafluoroacetophenone
CAS No: 1208077-45-5 Catalog No: AG01FA04 MDL No:MFCD12922641
Product Description
Catalog Number:
AG01FA04
Chemical Name:
2'-Methoxy-2,2,2,3',6'-pentafluoroacetophenone
CAS Number:
1208077-45-5
Molecular Formula:
C9H5F5O2
Molecular Weight:
240.1268
MDL Number:
MFCD12922641
IUPAC Name:
1-(3,6-difluoro-2-methoxyphenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C9H5F5O2/c1-16-7-5(11)3-2-4(10)6(7)8(15)9(12,13)14/h2-3H,1H3
InChI Key:
FRBFNLMSUOLCHC-UHFFFAOYSA-N
SMILES:
COc1c(F)ccc(c1C(=O)C(F)(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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