AG002S6D

261951-88-6 | Benzenemethanol, 4-methoxy-3-(trifluoromethyl)-

AG002S6D

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CAS Number	261951-88-6
Catalog Number	AG002S6D(AGN-PC-0WAMTF)
Chemical Name	Benzenemethanol, 4-methoxy-3-(trifluoromethyl)-
IUPAC Name	[4-methoxy-3-(trifluoromethyl)phenyl]methanol
InChI	InChI=1S/C9H9F3O2/c1-14-8-3-2-6(5-13)4-7(8)9(10,11)12/h2-4,13H,5H2,1H3
InChI Key	BZZVIAHLDIRLCX-UHFFFAOYSA-N
MDL Number	MFCD01631577
Molecular Formula	C9H9F3O2
Molecular Weight	206.1618
SMILES	OCC1=CC=C(OC)C(C(F)(F)F)=C1
Synonyms	261951-88-6, (4-Methoxy-3-(trifluoromethyl)phenyl)methanol, 4-Methoxy-3-(trifluoromethyl)benzyl alcohol, [4-methoxy-3-(trifluoromethyl)phenyl]methanol, (3-(trifluoromethyl)-4-methoxyphenyl)methanol, AC1MCQ4R, SCHEMBL1437536, CTK7A5797, KS-00000PDS, DTXSID20379508, BCP26748, JRD-0916, ZINC2382272, MFCD01631577, SBB093611, AKOS009158287, CS-W006427, FS-1104, AJ-34812, AK114289, SC-61410, ST24034722, X5676, Benzenemethanol, 4-methoxy-3-(trifluoromethyl)-, [4-methoxy-3-(trifluoromethyl)phenyl]methan-1-ol, C9H9F3O2, CID2775301,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.055g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	206.164g/mol
Monoisotopic Mass	206.055g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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