AG00DF30

540468-96-0 | (1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol

AG00DF30

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CAS Number	540468-96-0
Catalog Number	AG00DF30(AGN-PC-034S94)
Chemical Name	(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol
IUPAC Name	[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
InChI	InChI=1S/C6H7F3N2O/c1-11-2-4(3-12)5(10-11)6(7,8)9/h2,12H,3H2,1H3
InChI Key	JJYUUFIIBBRUQV-UHFFFAOYSA-N
MDL Number	MFCD09040887
Molecular Formula	C6H7F3N2O
Molecular Weight	180.1278
SMILES	CN1C=C(CO)C(=N1)C(F)(F)F
Synonyms	540468-96-0, (1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol, [1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol, 3-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-methanol, SCHEMBL2659868, 1H-Pyrazole-4-methanol, 1-methyl-3-(trifluoromethyl)-, CTK8B4712, DTXSID00610305, JJYUUFIIBBRUQV-UHFFFAOYSA-N, ANW-45941, ZINC39332362, AKOS006332110, AJ-99891, TC-134686, ST24020080, W6839, C-0540, 1-methyl-3-trifluoromethyl-1H-pyrazol-4-methanol, (1-methyl-3-trifluoromethyl-1H-pyrazol-4-yl)methanol, (1-methyl-3-trifluoromethyl-1H-pyrazol-4-yl)-methanol, F2198-4805, [1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-4-YL]METHANOL, C6H7F3N2O, 3-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-methanol, 97% - 1G 1g,

Complexity	161
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.051g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.13g/mol
Monoisotopic Mass	180.051g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	38A^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
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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