AG001Z5B

1737-27-5 | Benzenemethanol, 4-methoxy-α-(trifluoromethyl)-

AG001Z5B

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CAS Number	1737-27-5
Catalog Number	AG001Z5B(AGN-PC-0QAEGT)
Chemical Name	Benzenemethanol, 4-methoxy-α-(trifluoromethyl)-
IUPAC Name	2,2,2-trifluoro-1-(4-methoxyphenyl)ethanol
InChI	InChI=1S/C9H9F3O2/c1-14-7-4-2-6(3-5-7)8(13)9(10,11)12/h2-5,8,13H,1H3
InChI Key	MCAYQVHHKRKRLD-UHFFFAOYSA-N
MDL Number	MFCD00461900
Molecular Formula	C9H9F3O2
Molecular Weight	206.1618
NSC Number	55523
SMILES	COC1=CC=C(C(O)C(F)(F)F)C=C1
Synonyms	2,2,2-trifluoro-1-(4-methoxyphenyl)ethanol, 1737-27-5, 2,2,2-trifluoro-1-(4-methoxyphenyl)ethan-1-ol, NSC55523, AC1L6DYJ, AC1Q4IHC, CBDivE_012696, SCHEMBL2426161, CTK4D4748, DTXSID00288381, MCAYQVHHKRKRLD-UHFFFAOYSA-N, HMS1577F19, MFCD00461900, NSC-55523, AKOS010334775, RL02221, AS-41524, 4CH-005835, alpha-Trifluoromethyl-4-methoxybenzyl alcohol, 2,2,2-trifluoro-1-(4-methoxyphenyl)-ethanol, Benzenemethanol,4-methoxy-a-(trifluoromethyl)-, AB00074256-01, A814952, SR-01000196510, 2,2,2-tris(fluoranyl)-1-(4-methoxyphenyl)ethanol, Benzenemethanol, 4-methoxy-alpha-(trifluoromethyl)-, J-506730, SR-01000196510-1, AR-1D0365, CID244560, Benzenemethanol, 4-methoxy-a-(trifluoromethyl)-, 2082-59-9,

Complexity	173
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	1
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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