AG00FGAX

71082-45-6 | 6-(trifluoromethyl)quinoline-3-carboxylic acid

AG00FGAX

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CAS Number	71082-45-6
Catalog Number	AG00FGAX(AGN-PC-05P1KD)
Chemical Name	6-(trifluoromethyl)quinoline-3-carboxylic acid
IUPAC Name	6-(trifluoromethyl)quinoline-3-carboxylic acid
InChI	InChI=1S/C11H6F3NO2/c12-11(13,14)8-1-2-9-6(4-8)3-7(5-15-9)10(16)17/h1-5H,(H,16,17)
InChI Key	VXSPVHGBXKWWCX-UHFFFAOYSA-N
MDL Number	MFCD11557297
Molecular Formula	C11H6F3NO2
Molecular Weight	241.1660
SMILES	O=C(C1=CC2=CC(C(F)(F)F)=CC=C2N=C1)O
Synonyms	6-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLIC ACID, 71082-45-6, 6-(trifluoromethyl)quinoline-3-carboxylic acid, >98%, CHEMBL3228130, SCHEMBL10474372, DTXSID40652885, MFCD11557297, ZINC26507351, AKOS023554364, AK164687, AS-30856, QC-11511, SC-66421, AB0049313, 3-Quinolinecarboxylic acid, 6-(trifluoromethyl)-,

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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