AG00GA2J

849818-58-2 | 6-(trifluoromethyl)quinoline-2-carboxylic acid

AG00GA2J

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CAS Number	849818-58-2
Catalog Number	AG00GA2J(AGN-PC-0NGW08)
Chemical Name	6-(trifluoromethyl)quinoline-2-carboxylic acid
IUPAC Name	6-(trifluoromethyl)quinoline-2-carboxylic acid
InChI	InChI=1S/C11H6F3NO2/c12-11(13,14)7-2-4-8-6(5-7)1-3-9(15-8)10(16)17/h1-5H,(H,16,17)
InChI Key	LSVFVSVUKCIBHC-UHFFFAOYSA-N
MDL Number	MFCD11108691
Molecular Formula	C11H6F3NO2
Molecular Weight	241.1660
SMILES	O=C(C1=NC2=CC=C(C(F)(F)F)C=C2C=C1)O
Synonyms	6-(trifluoromethyl)quinoline-2-carboxylic Acid, 849818-58-2, 6-Trifluoromethyl-quinoline-2-carboxylic acid, SCHEMBL1285735, CTK8C6415, DTXSID40457312, LSVFVSVUKCIBHC-UHFFFAOYSA-N, MFCD11108691, ZINC26474810, AKOS022172138, RP05874, AJ-82444, AK137198, AS-30847, QC-11523, SC-66432, AB0037003, AX8258766, DB-011845, TC-060126, 6-Trifluoromethyl-quinoline-2-carboxylicacid, 6-Trifluoromethylquinoline-2-carboxylic acid, FT-0725628, ST24045083, Y4227, 6-(trifluoromethyl)quinoline-2-carboxylic acid,99%, J-518139, C11H6F3NO2, CID11160820,

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	2.9

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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