AG00EAGM

588702-65-2 | 3-(Trifluoromethyl)Quinoline-4-Carboxylic Acid

AG00EAGM

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CAS Number	588702-65-2
Catalog Number	AG00EAGM(AGN-PC-007GZ1)
Chemical Name	3-(Trifluoromethyl)Quinoline-4-Carboxylic Acid
IUPAC Name	3-(trifluoromethyl)quinoline-4-carboxylic acid
InChI	InChI=1S/C11H6F3NO2/c12-11(13,14)7-5-15-8-4-2-1-3-6(8)9(7)10(16)17/h1-5H,(H,16,17)
InChI Key	WBOBVHAOJMZKLF-UHFFFAOYSA-N
MDL Number	MFCD08458858
Molecular Formula	C11H6F3NO2
Molecular Weight	241.1660
SMILES	C1=CC=C2N=CC(C(F)(F)F)=C(C(=O)O)C2=C1
Synonyms	3-(trifluoromethyl)quinoline-4-carboxylic Acid, 588702-65-2, 3-Trifluoromethyl-4-quinolinecarboxylic acid, AK-43242, SCHEMBL11289506, CTK7I6505, KS-00000OJE, DTXSID30463422, ZX-AP010703, 8742AB, ANW-66505, MFCD08458858, SBB053287, ZINC16159915, AKOS008901108, AJ-68803, TS-03367, AX8210733, DB-072534, TC-072072, FT-0709821, 3-(Trifluoromethyl)-4-quinolinecarboxylic acid, I08-0368, 3-(TRIFLUOROMETHYL)QUINOLINE-4-CARBOXYLICACID, C11H6F3NO2, ACN-038909, CID11356898, 3-Trifluoromethyl-quinoline-4-carboxylic acid,

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
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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