Name: Name:methyl 8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylate
Brand: Angene
SKU: AG01EJ7H
Rating: 90 (10 reviews)

methyl 8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylate

CAS No.:

1780803-68-0

Catalog Number:

AG01EJ7H

Molecular Formula:

C12H12F3NO2

Molecular Weight:

259.2244

Catalog Number:

AG01EJ7H

Chemical Name:

methyl 8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylate

CAS Number:

1780803-68-0

Molecular Formula:

C12H12F3NO2

Molecular Weight:

259.2244

MDL Number:

MFCD31617005

IUPAC Name:

methyl 8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylate

InChI:

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

InChI Key:

KIUXEUXCTXRKMW-UHFFFAOYSA-N

SMILES:

COC(=O)C1CNCc2c1cccc2C(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:

1.8