AG00APIZ

18706-39-3 | 2-(TRIFLUOROMETHYL)QUINOLINE-4-CARBOXYLIC ACID 97

AG00APIZ

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CAS Number	18706-39-3
Catalog Number	AG00APIZ(AGN-PC-0MTDYF)
Chemical Name	2-(TRIFLUOROMETHYL)QUINOLINE-4-CARBOXYLIC ACID 97
IUPAC Name	2-(trifluoromethyl)quinoline-4-carboxylic acid
InChI	InChI=1S/C11H6F3NO2/c12-11(13,14)9-5-7(10(16)17)6-3-1-2-4-8(6)15-9/h1-5H,(H,16,17)
InChI Key	BHRSRGUVJGTOBA-UHFFFAOYSA-N
MDL Number	MFCD00835356
Molecular Formula	C11H6F3NO2
Molecular Weight	241.1660
SMILES	OC(=O)C1=CC(=NC2=C1C=CC=C2)C(F)(F)F
Synonyms	2-(trifluoromethyl)quinoline-4-carboxylic acid, 18706-39-3, 2-(Trifluoromethyl)quinoline-4-carboxylicacid, 2-(trifluoromethyl)-4-quinolinecarboxylic acid, CC-PMLSC-DMA-P114, 2-trifluoromethyl cinchoninic acid, Q-103523, SMR000209016, 2-trifluoromethyl-4-quinolinecarboxylic acid, 2-Trifluoromethyl-quinoline-4-carboxylic acid, MLS000889047, SCHEMBL3041657, CHEMBL1571583, BDBM35451, cid_9547712, CTK0H2224, DTXSID60429511, BHRSRGUVJGTOBA-UHFFFAOYSA-N, HMS2211I11, HMS3348A16, 2-(trifluoromethyl)cinchoninic acid, KS-00000MI0, ZINC8585277, ZX-AL000967, ZX-AP010701, ANW-59858, CT0073, MFCD00835356, SBB053285, AKOS000320435, HQ11443, RP05871, SDCCGMLS-0091884.P001, ACM18706393, NCGC00142258-01, AC-28129, AJ-57684, AK-33863, TS-03365, AX8063728, DB-065592, TC-072067, AM20050911, FT-0688925, ST24039798, Y6103, 4-Quinolinecarboxylicacid, 2-(trifluoromethyl)-, 4-Quinolinecarboxylic acid, 2-(trifluoromethyl)-, A813111, I08-0363, 2-(TRIFLUOROMETHYL)QUINOLINE-4-CARBOXYLIC ACID 97, 2-(trifluoromethyl)quinoline-4-carboxylic acid, AldrichCPR, C11H6F3NO2, ACN-038903, CID9547712, C-1263, 2-(Trifluoromethyl)quinoline-4-carboxylic acid, 97% - 1G 1g, 587886-26-8,

Complexity	306
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.035g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	241.169g/mol
Monoisotopic Mass	241.035g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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