AG005M8W

6758-34-5 | 2-(HYDROXYMETHYL)-5-TRIFLUOROMETHYL-1H-BENZOIMIDAZOLE

AG005M8W

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CAS Number	6758-34-5
Catalog Number	AG005M8W(AGN-PC-0OG7QY)
Chemical Name	2-(HYDROXYMETHYL)-5-TRIFLUOROMETHYL-1H-BENZOIMIDAZOLE
IUPAC Name	[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methanol
InChI	InChI=1S/C9H7F3N2O/c10-9(11,12)5-1-2-6-7(3-5)14-8(4-15)13-6/h1-3,15H,4H2,(H,13,14)
InChI Key	UHYXPZNNZRASOQ-UHFFFAOYSA-N
MDL Number	MFCD12755183
Molecular Formula	C9H7F3N2O
Molecular Weight	216.1599
SMILES	OCC1=NC2=C(N1)C=CC(=C2)C(F)(F)F
Synonyms	6758-34-5, (5-(Trifluoromethyl)-1H-benzo[d]imidazol-2-yl)methanol, [6-(trifluoromethyl)-1H-benzimidazol-2-yl]methanol, 2-(Hydroxymethyl)-5-(trifluoromethyl)benzimidazole, 2-(HYDROXYMETHYL)-5-TRIFLUOROMETHYL-1H-BENZOIMIDAZOLE, (5-Trifluoromethyl-1H-benzoimidazol-2-yl)-methanol, 1H-Benzimidazole-2-methanol, 6-(trifluoromethyl)-, SCHEMBL4556153, CTK5C6360, DTXSID00677534, 0404AC, MFCD12755183, ZINC66347754, AKOS015901994, AK-40548, DA-19458, SY034043, AJ-116402, AX8162216, TC-072293, FT-0687715, MFCD12755183 (95%), 6-(trifluoromethyl)-1H-Benzimidazole-2-methanol, I14-12993, C9H7F3N2O, ACN-038772,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.051g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	216.163g/mol
Monoisotopic Mass	216.051g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	48.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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