Name: Name:2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-7-(trifluoromethyl)-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG000OQ1
Rating: 90 (10 reviews)

2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-7-(trifluoromethyl)-, 1,1-dimethylethyl ester

CAS No.:

1257855-77-8

Catalog Number:

AG000OQ1

Molecular Formula:

C15H18F3NO2

Molecular Weight:

301.3041

Catalog Number:

AG000OQ1

Chemical Name:

2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-7-(trifluoromethyl)-, 1,1-dimethylethyl ester

CAS Number:

1257855-77-8

Molecular Formula:

C15H18F3NO2

Molecular Weight:

301.3041

MDL Number:

MFCD12923110

IUPAC Name:

tert-butyl 7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

InChI:

InChI=1S/C15H18F3NO2/c1-14(2,3)21-13(20)19-7-6-10-4-5-12(15(16,17)18)8-11(10)9-19/h4-5,8H,6-7,9H2,1-3H3

InChI Key:

OIHPOPICHOVJKP-UHFFFAOYSA-N

SMILES:

O=C(N1CCc2c(C1)cc(cc2)C(F)(F)F)OC(C)(C)C

Complexity:

389

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

301.129g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

301.309g/mol

Monoisotopic Mass:

301.129g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5