AG000LHB

1240594-67-5 | 2-Pyrimidinemethanol, 4-(trifluoromethyl)-

AG000LHB

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CAS Number	1240594-67-5
Catalog Number	AG000LHB(AGN-PC-0WAJST)
Chemical Name	2-Pyrimidinemethanol, 4-(trifluoromethyl)-
IUPAC Name	[4-(trifluoromethyl)pyrimidin-2-yl]methanol
InChI	InChI=1S/C6H5F3N2O/c7-6(8,9)4-1-2-10-5(3-12)11-4/h1-2,12H,3H2
InChI Key	UAUKCOHAEJTUND-UHFFFAOYSA-N
MDL Number	MFCD16987898
Molecular Formula	C6H5F3N2O
Molecular Weight	178.1119
SMILES	OCC1=NC=CC(C(F)(F)F)=N1
Synonyms	(4-(trifluoromethyl)pyrimidin-2-yl)methanol, 1240594-67-5, [4-(Trifluoromethyl)pyrimidin-2-yl]methanol, AK131142, 4-(Trifluoromethyl)pyrimidin-2-yl)methanol, J-501331, SCHEMBL18115234, DTXSID50744361, MFCD16987898, ZINC62701792, AKOS016014539, DS-6850, FCH1180600, RL01095, SC-96131, 2-Pyrimidinemethanol, 4-(trifluoromethyl)-, AJ-114198, AX8252065, 4CH-005137, CS-0060706, FT-0723294,

Complexity	150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.035g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.114g/mol
Monoisotopic Mass	178.035g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	46A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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