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685892-11-9 | 2,3,5,6-Tetrafluoromandelic acid
CAS No: 685892-11-9 Catalog No: AG01EWYD MDL No:MFCD03789124
Product Description
Catalog Number:
AG01EWYD
Chemical Name:
2,3,5,6-Tetrafluoromandelic acid
CAS Number:
685892-11-9
Molecular Formula:
C8H4F4O3
Molecular Weight:
224.1092
MDL Number:
MFCD03789124
IUPAC Name:
2-hydroxy-2-(2,3,5,6-tetrafluorophenyl)acetic acid
InChI:
InChI=1S/C8H4F4O3/c9-2-1-3(10)6(12)4(5(2)11)7(13)8(14)15/h1,7,13H,(H,14,15)
InChI Key:
HKPLPZPFEQLEFM-UHFFFAOYSA-N
SMILES:
OC(c1c(F)c(F)cc(c1F)F)C(=O)O
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.01g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.111g/mol
Monoisotopic Mass:
224.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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