Name: Name:6-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(trifluoromethyl)-, methyl ester
Brand: Angene
SKU: AG000Y0I
Rating: 90 (10 reviews)

6-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(trifluoromethyl)-, methyl ester

CAS No.:

1283718-31-9

Catalog Number:

AG000Y0I

Molecular Formula:

C12H12F3NO2

Molecular Weight:

259.2244

Catalog Number:

AG000Y0I

Chemical Name:

6-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(trifluoromethyl)-, methyl ester

CAS Number:

1283718-31-9

Molecular Formula:

C12H12F3NO2

Molecular Weight:

259.2244

MDL Number:

MFCD16251071

IUPAC Name:

methyl 2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-6-carboxylate

InChI:

InChI=1S/C12H12F3NO2/c1-18-11(17)8-2-4-9-7(6-8)3-5-10(16-9)12(13,14)15/h2,4,6,10,16H,3,5H2,1H3

InChI Key:

OOKKEOHFLGJDDE-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc2c(c1)CCC(N2)C(F)(F)F

Complexity:

319

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.082g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.228g/mol

Monoisotopic Mass:

259.082g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3