AG002S1P

261763-05-7 | 3-Chloro-2-fluoro-5-(trifluoromethyl)benzyl alcohol

AG002S1P

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CAS Number	261763-05-7
Catalog Number	AG002S1P(AGN-PC-0R23CR)
Chemical Name	3-Chloro-2-fluoro-5-(trifluoromethyl)benzyl alcohol
IUPAC Name	[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanol
InChI	InChI=1S/C8H5ClF4O/c9-6-2-5(8(11,12)13)1-4(3-14)7(6)10/h1-2,14H,3H2
InChI Key	TXEZAXDRQCONER-UHFFFAOYSA-N
MDL Number	MFCD01631512
Molecular Formula	C8H5ClF4O
Molecular Weight	228.5713
SMILES	C1=C(C(F)(F)F)C=C(Cl)C(=C1CO)F
Synonyms	261763-05-7, 3-Chloro-2-fluoro-5-(trifluoromethyl)benzyl alcohol, [3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanol, 3-chloro-2-fluoro-5-(trifluoromethyl)benzylalcohol, 3-chloro-2-fluoro-5-(trifluoromethyl)-benzyl alcohol, (3-chloro-2-fluoro-5-(trifluoromethyl)phenyl)methanol, [3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methan-1-ol, PubChem4900, AC1MCNEU, SCHEMBL16771000, CTK4F7275, DTXSID30378688, TXEZAXDRQCONER-UHFFFAOYSA-N, ACT13212, JRD-0834, ZINC2382181, ZX-AP011257, 2264AB, ANW-56137, MFCD01631512, PC0154, SBB064386, AKOS005063701, FCH1321541, JS-4142, MCULE-9857683805, RTR-039782, AC-26168, ACM261763057, AJ-34773, AK-34417, AX8085623, TR-039782, FT-0657739, ST24042009, ST51041482, A22680, C-5941, I01-4748, (3-Chloro-2-fluoro-5-trifluoromethyl-phenyl)-methanol, Benzenemethanol, 3-chloro-2-fluoro-5-(trifluoromethyl)-, Benzenemethanol,3-chloro-2-fluoro-5-(trifluoromethyl)-, C8H5ClF4O, ZINC02382181, CID2773756,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.997g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	228.571g/mol
Monoisotopic Mass	227.997g/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-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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