AG00CIR2

325-13-3 | 6-Trifluoromethylquinoline

AG00CIR2

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CAS Number	325-13-3
Catalog Number	AG00CIR2(AGN-PC-0NJQXK)
Chemical Name	6-Trifluoromethylquinoline
IUPAC Name	6-(trifluoromethyl)quinoline
InChI	InChI=1S/C10H6F3N/c11-10(12,13)8-3-4-9-7(6-8)2-1-5-14-9/h1-6H
InChI Key	YVALNRPQHHRMNT-UHFFFAOYSA-N
MDL Number	MFCD09879698
Molecular Formula	C10H6F3N
Molecular Weight	197.1565
SMILES	FC(C=1C=C2C=CC=NC2=CC1)(F)F
Synonyms	6-(trifluoromethyl)quinoline, 325-13-3, 6-TRIFLUOROMETHYLQUINOLINE, ACMC-209htm, 6-trifluoromethyl-quinoline, SCHEMBL1538451, Quinoline,6-(trifluoromethyl)-, CTK4G8815, DTXSID60505602, Quinoline, 6-(trifluoromethyl)-, YVALNRPQHHRMNT-UHFFFAOYSA-N, ACT10696, ANW-27368, CT-605, FCH832272, MFCD09879698, ZINC22016766, AKOS006229300, AJ-80698, AK-94499, AS-40781, CJ-17277, DA-19587, AX8107755, TR-013653, FT-0735741, ST24029604, V5181, K-7558, 6-(TRIFLUOROMETHYL)QUINOLINE,95% MIN(HPLC), I08-0386, 6-Trrfluoromethylquinoline, C10H6F3N, ACN-S005007,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.045g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	197.16g/mol
Monoisotopic Mass	197.045g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

Lot Number