AG000SWK

126541-87-5 | Benzoic acid, 3-hydroxy-4-(trifluoromethyl)-

AG000SWK

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CAS Number	126541-87-5
Catalog Number	AG000SWK(AGN-PC-0ND8U8)
Chemical Name	Benzoic acid, 3-hydroxy-4-(trifluoromethyl)-
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
MDL Number	MFCD16999826
Molecular Formula	C8H5F3O3
Molecular Weight	206.1187
SMILES	C(F)(F)(F)c1c(O)cc(cc1)C(=O)O
Synonyms	3-hydroxy-4-(trifluoromethyl)benzoic Acid, 126541-87-5, Benzoic acid, 3-hydroxy-4-(trifluoromethyl)-, ACMC-20ms1c, SCHEMBL850916, CTK0C2103, ZZSMIPAVTZJPHQ-UHFFFAOYSA-, DTXSID40449252, ZZSMIPAVTZJPHQ-UHFFFAOYSA-N, MFCD16999826, ZINC71260675, AKOS025401604, MB25624, NE50949, 3-hydroxy-4-trifluoro-methylbenzoic acid, 3-hydroxy-4-trifluoromethyl-benzoic acid, AC-22671, AK313339, DS-11909, SC-52542, 3-Hydroxy -4-(trifluoromethyl)benzoic acid, Z2492800558, InChI=1/C8H5F3O3/c9-8(10,11)5-2-1-4(7(13)14)3-6(5)12/h1-3,12H,(H,13,14), CID10943636,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number