AG007O89

241127-76-4 | 2,2,2-Trifluoro-1-(4-nitrophenyl)ethanol

AG007O89

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CAS Number	241127-76-4
Catalog Number	AG007O89(AGN-PC-0R01TT)
Chemical Name	2,2,2-Trifluoro-1-(4-nitrophenyl)ethanol
IUPAC Name	2,2,2-trifluoro-1-(4-nitrophenyl)ethanol
InChI	InChI=1S/C8H6F3NO3/c9-8(10,11)7(13)5-1-3-6(4-2-5)12(14)15/h1-4,7,13H
InChI Key	UQFMTXANBPARMP-UHFFFAOYSA-N
MDL Number	MFCD16615353
Molecular Formula	C8H6F3NO3
Molecular Weight	221.1333
SMILES	OC(C(F)(F)F)c1ccc(cc1)[N+](=O)[O-]
Synonyms	2,2,2-trifluoro-1-(4-nitrophenyl)ethanol, 241127-76-4, 1-(4-nitrophenyl)-2,2,2-trifluoroethanol, Benzenemethanol, 4-nitro-alpha-(trifluoromethyl)- (9CI), SCHEMBL1814058, CTK4F2935, DTXSID90468079, UQFMTXANBPARMP-UHFFFAOYSA-N, MFCD16615353, AKOS022173243, PC53231, RL02766, AS-41525, AX8281663, 4CH-005807, Benzenemethanol,4-nitro-a-(trifluoromethyl)-, 2,2,2-trifluoro-1-(4-nitro-phenyl)-ethanol, 2,2,2-trifluoro-1-(4-nitrophenyl)ethan-1-ol, Benzenemethanol, 4-nitro-alpha-(trifluoromethyl)-, J-519681, Z2692093970, Benzenemethanol,4-nitro-alpha- -, CID11528653,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.03g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	221.135g/mol
Monoisotopic Mass	221.03g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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