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Home > Fluorides > 121592-01-6
121592-01-6 | 3'-Methoxy-2,2,3,3,3-pentafluoropropiophenone
CAS No: 121592-01-6 Catalog No: AG01FA9C MDL No:
Product Description
Catalog Number:
AG01FA9C
Chemical Name:
3'-Methoxy-2,2,3,3,3-pentafluoropropiophenone
CAS Number:
121592-01-6
Molecular Formula:
C10H7F5O2
Molecular Weight:
254.1534
IUPAC Name:
2,2,3,3,3-pentafluoro-1-(3-methoxyphenyl)propan-1-one
InChI:
InChI=1S/C10H7F5O2/c1-17-7-4-2-3-6(5-7)8(16)9(11,12)10(13,14)15/h2-5H,1H3
InChI Key:
PBTZQEPFROLIAA-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(=O)C(C(F)(F)F)(F)F
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.037g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.156g/mol
Monoisotopic Mass:
254.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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