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653-21-4 | 2-(Perfluorophenyl)acetic acid
CAS No: 653-21-4 Catalog No: AG003FD6 MDL No:MFCD00004316
Product Description
Catalog Number:
AG003FD6
Chemical Name:
2-(Perfluorophenyl)acetic acid
CAS Number:
653-21-4
Molecular Formula:
C8H3F5O2
Molecular Weight:
226.1002
MDL Number:
MFCD00004316
IUPAC Name:
2-(2,3,4,5,6-pentafluorophenyl)acetic acid
InChI:
InChI=1S/C8H3F5O2/c9-4-2(1-3(14)15)5(10)7(12)8(13)6(4)11/h1H2,(H,14,15)
InChI Key:
LGCODSNZJOVMHV-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(F)c(F)c(c(c1F)F)F
EC Number:
211-497-0
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.005g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.102g/mol
Monoisotopic Mass:
226.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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