AG002LXO

230295-16-6 | Benzenemethanol, 3-fluoro-4-(trifluoromethyl)-

AG002LXO

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CAS Number	230295-16-6
Catalog Number	AG002LXO(AGN-PC-0KK8LR)
Chemical Name	Benzenemethanol, 3-fluoro-4-(trifluoromethyl)-
IUPAC Name	[3-fluoro-4-(trifluoromethyl)phenyl]methanol
InChI	InChI=1S/C8H6F4O/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-3,13H,4H2
InChI Key	MTBRNORZNYPTIU-UHFFFAOYSA-N
MDL Number	MFCD00236285
Molecular Formula	C8H6F4O
Molecular Weight	194.1263
SMILES	OCC1=CC=C(C(F)(F)F)C(F)=C1
Synonyms	230295-16-6, 3-Fluoro-4-(trifluoromethyl)benzyl alcohol, (3-Fluoro-4-(trifluoromethyl)phenyl)methanol, 4-Trifluoromethyl-3-fluorobenzyl alcohol, [3-fluoro-4-(trifluoromethyl)phenyl]methanol, Benzenemethanol, 3-fluoro-4-(trifluoromethyl)-, MFCD00236285, [3-fluoro-4-(trifluoromethyl)phenyl]methan-1-ol, ACMC-20amab, AC1MC7HV, SCHEMBL92971, RARECHEM AL BD 0450, CTK4F0731, DTXSID50372143, MTBRNORZNYPTIU-UHFFFAOYSA-N, JRD-0556, KS-00000J4G, ZINC2560179, SBB091697, AKOS015956007, AS02034, MCULE-6827615049, PS-8308, AJ-40495, AK-37418, TC-168554, ST50407212, V4539, Benzenemethanol,3-fluoro-4-(trifluoromethyl)-, K-6371, I01-17413, [3-Fluoro-4-(trifluoromethyl)phenyl]methanol, AldrichCPR, C8H6F4O, ZINC02560179, CID2737562,

Complexity	168
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.035g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	194.129g/mol
Monoisotopic Mass	194.035g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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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