AG0071HW

446-66-2 | 1-(4-Chlorophenyl)-2,2,2-trifluoroethanol

AG0071HW

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CAS Number	446-66-2
Catalog Number	AG0071HW(AGN-PC-0WBRTG)
Chemical Name	1-(4-Chlorophenyl)-2,2,2-trifluoroethanol
IUPAC Name	1-(4-chlorophenyl)-2,2,2-trifluoroethanol
InChI	InChI=1S/C8H6ClF3O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4,7,13H
InChI Key	DONAZKZEGGHKRH-UHFFFAOYSA-N
MDL Number	MFCD02929094
Molecular Formula	C8H6ClF3O
Molecular Weight	210.5808
NSC Number	91562
SMILES	FC(F)(F)C(O)C1=CC=C(Cl)C=C1
Synonyms	1-(4-chlorophenyl)-2,2,2-trifluoroethanol, 446-66-2, DONAZKZEGGHKRH-UHFFFAOYSA-N, 1-(4-Chloro-phenyl)-2,2,2-trifluoro-ethanol, NSC91562, AC1Q3NFO, AC1L632Y, SCHEMBL1508521, CTK4I8383, DTXSID20293699, BDBM108243, 6167AB, MFCD00018720, NSC-91562, AKOS005259166, RL03693, AS-41490, SY030756, DB-005592, 4CH-005815, FT-0632143, MFCD00018720 (95%), Benzenemethanol,4-chloro-|A-(trifluoromethyl)-, 1-(4-chlorophenyl)-2,2,2-trifluoroethan-1-ol, J-503275, Benzeneethanol, 2,2,2-trifluoro-1-(4-chlorophenyl), 1‐(4‐chlorophenyl)‐2,2,2‐trifluoroethanol (Hit 11), C8H6ClF3O, KST-1B5221, AR-1B1850, CID260399, Benzenemethanol, 4-chloro-a-(trifluoromethyl)-, 5430-78-4,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.006g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	210.58g/mol
Monoisotopic Mass	210.006g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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