AG000S0T

1261822-74-5 | 2-Chloro-4-trifluoromethoxybenzyl alcohol

AG000S0T

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CAS Number	1261822-74-5
Catalog Number	AG000S0T(AGN-PC-0HCKN1)
Chemical Name	2-Chloro-4-trifluoromethoxybenzyl alcohol
IUPAC Name	[2-chloro-4-(trifluoromethoxy)phenyl]methanol
InChI	InChI=1S/C8H6ClF3O2/c9-7-3-6(14-8(10,11)12)2-1-5(7)4-13/h1-3,13H,4H2
InChI Key	YWLMKHWUAXCYKJ-UHFFFAOYSA-N
MDL Number	MFCD18393815
Molecular Formula	C8H6ClF3O2
Molecular Weight	226.5802
SMILES	c1c(ccc(c1Cl)CO)OC(F)(F)F
Synonyms	1261822-74-5, 2-Chloro-4-trifluoromethoxybenzyl alcohol, [2-chloro-4-(trifluoromethoxy)phenyl]methanol, (2-Chloro-4-(trifluoromethoxy)phenyl)methanol, SCHEMBL2090671, MFCD18393815, ZINC98096581, AKOS026417829, NE21902, AS-46271, 2-Chloro-4-(trifluoromethoxy)benzyl alcohol, Benzenemethanol, 2-chloro-4-(trifluoromethoxy)-, Z1889909881,

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	2.8

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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