AG006A7E

702641-05-2 | 2-Iodo-5-(trifluoromethyl)benzyl alcohol

AG006A7E

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CAS Number	702641-05-2
Catalog Number	AG006A7E(AGN-PC-03ZEBQ)
Chemical Name	2-Iodo-5-(trifluoromethyl)benzyl alcohol
IUPAC Name	[2-iodo-5-(trifluoromethyl)phenyl]methanol
InChI	InChI=1S/C8H6F3IO/c9-8(10,11)6-1-2-7(12)5(3-6)4-13/h1-3,13H,4H2
InChI Key	YSHVUTKATXCKBP-UHFFFAOYSA-N
MDL Number	MFCD11849936
Molecular Formula	C8H6F3IO
Molecular Weight	302.0323
SMILES	OCC1=CC(C(F)(F)F)=CC=C1I
Synonyms	702641-05-2, (2-IODO-5-(TRIFLUOROMETHYL)PHENYL)METHANOL, 2-Iodo-5-(trifluoromethyl)benzylalcohol, 2-IODO-5-(TRIFLUOROMETHYL)BENZYL ALCOHOL, 2-iodo-5-trifluoromethylbenzylalcohol, [2-iodo-5-(trifluoromethyl)phenyl]methanol, BENZENEMETHANOL, 2-IODO-5-(TRIFLUOROMETHYL)-, 2-Iodo-5-trifluoromethylbenzyl alcohol, 5-(TRIFLUOROMETHYL)-2-IODOBENZYL ALCOHOL, SCHEMBL531384, CTK2H5126, DTXSID20631138, YSHVUTKATXCKBP-UHFFFAOYSA-N, ACT03533, CS-M3090, ZX-AP009846, ANW-59427, MFCD11849936, ZINC59796811, 5-trifluoromethyl-2-iodobenzyl alcohol, AKOS015917527, AM84061, AS05986, CM13436, FCH1406855, PC32725, KS-0000057H, AK-37351, AS-45906, SC-52473, (2-Iodo-5-trifluoromethyl-phenyl)-methanol, AJ-113686, AX8160661, DB-011051, TX-016450, FT-0730752, ST24033931, X6343, (2-Iodo-5-(trifluoromethyl);phenyl);methanol, 2-IODO-5-(TRIFLUOROMETHYL)-BENZENEMETHANOL, I14-9726, C8H6F3IO, CB11576, A11652,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	301.942g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	302.035g/mol
Monoisotopic Mass	301.942g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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

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