AG002S76

261952-12-9 | Benzenemethanol, 2-methyl-3-(trifluoromethyl)-

AG002S76

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CAS Number	261952-12-9
Catalog Number	AG002S76(AGN-PC-0KKWZ5)
Chemical Name	Benzenemethanol, 2-methyl-3-(trifluoromethyl)-
IUPAC Name	[2-methyl-3-(trifluoromethyl)phenyl]methanol
InChI	InChI=1S/C9H9F3O/c1-6-7(5-13)3-2-4-8(6)9(10,11)12/h2-4,13H,5H2,1H3
InChI Key	OCUGIKIVMHDQQQ-UHFFFAOYSA-N
MDL Number	MFCD01631603
Molecular Formula	C9H9F3O
Molecular Weight	190.1624
SMILES	FC(C1=C(C)C(CO)=CC=C1)(F)F
Synonyms	2-Methyl-3-(trifluoromethyl)benzyl alcohol, 261952-12-9, [2-methyl-3-(trifluoromethyl)phenyl]methanol, 2-METHYL-3-TRIFLUOROMETHYLBENZYL ALCOHOL, (2-Methyl-3-(trifluoromethyl)phenyl)methanol, AC1MCQCG, SCHEMBL737569, CTK8A2987, DTXSID70379614, OCUGIKIVMHDQQQ-UHFFFAOYSA-N, JRD-0943, KS-00003TD9, ZINC2382309, ZX-AP007966, 8697AD, CL8935, MFCD01631603, PC0470, SBB091077, AKOS015956020, FCH1117452, TS-02676, AB0087539, AX8267154, Benzenemethanol, 2-methyl-3-(trifluoromethyl)-, X-3573, [2-methyl-3-(trifluoromethyl)phenyl]methan-1-ol, C9H9F3O, ACN-056623, CID2775610, 2-Methyl-3-(trifluoromethyl)benzyl alcohol?,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.061g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	190.165g/mol
Monoisotopic Mass	190.061g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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