AG003AXY

56456-48-5 | 3-CHLORO-4-(TRIFLUOROMETHOXY)BENZYL ALCOHOL

AG003AXY

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CAS Number	56456-48-5
Catalog Number	AG003AXY(AGN-PC-0KKVQG)
Chemical Name	3-CHLORO-4-(TRIFLUOROMETHOXY)BENZYL ALCOHOL
IUPAC Name	[3-chloro-4-(trifluoromethoxy)phenyl]methanol
InChI	InChI=1S/C8H6ClF3O2/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-3,13H,4H2
InChI Key	KPYSDIQXFHKDPU-UHFFFAOYSA-N
MDL Number	MFCD01631559
Molecular Formula	C8H6ClF3O2
Molecular Weight	226.5802
SMILES	OCC1=CC=C(OC(F)(F)F)C(Cl)=C1
Synonyms	56456-48-5, (3-Chloro-4-(trifluoromethoxy)phenyl)methanol, 3-Chloro-4-(trifluoromethoxy)benzyl alcohol, 3-Chloro-4-(trifluoromethoxy)benzylalcohol, [3-chloro-4-(trifluoromethoxy)phenyl]methanol, AK-35659, 3-Chloro-4-(trifluoromethoxy)benzoyl alcohol, AC1MCNJS, PubChem10177, SCHEMBL3083420, CTK5A5155, KS-00000NJQ, DTXSID10378747, ZINC2382250, ZX-AP011259, ANW-59815, MFCD01631559, PC0180, SBB097016, AKOS015955994, FCH1320861, AJ-34799, DS-12725, AX8085751, TC-148560, CS-0041917, ST24034350, X2258, (3-Chloro-4-trifluoromethoxy-phenyl)-methanol, A22368, [3-chloro-4-(trifluoromethoxy)phenyl]methan-1-ol, C8H6ClF3O2, 3-CHLORO-4- BENZYLALCOHOL, ZINC02382250, CID2773848,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.001g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	226.579g/mol
Monoisotopic Mass	226.001g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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