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Home > Fluorides > 126541-87-5
126541-87-5 | Benzoic acid, 3-hydroxy-4-(trifluoromethyl)-
CAS No: 126541-87-5 Catalog No: AG000SWK MDL No:MFCD16999826
Product Description
Catalog Number:
AG000SWK
Chemical Name:
Benzoic acid, 3-hydroxy-4-(trifluoromethyl)-
CAS Number:
126541-87-5
Molecular Formula:
C8H5F3O3
Molecular Weight:
206.1187
MDL Number:
MFCD16999826
IUPAC Name:
3-hydroxy-4-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H5F3O3/c9-8(10,11)5-2-1-4(7(13)14)3-6(5)12/h1-3,12H,(H,13,14)
InChI Key:
ZZSMIPAVTZJPHQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)O)C(F)(F)F
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.019g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.12g/mol
Monoisotopic Mass:
206.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Bioequivalence of two oral formulations of triflusal capsules in healthy volunteers. | Arzneimittel-Forschung 20080101 |
| Effects of triflusal and aspirin in a rat model of cerebral ischemia. | Stroke 20070201 |
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