Name: Name:2,2,2-trifluoroethyl N-(isoquinolin-5-yl)carbamate
Brand: Angene
SKU: AG019X6Z
Rating: 90 (10 reviews)

2,2,2-trifluoroethyl N-(isoquinolin-5-yl)carbamate

CAS No.:

1152953-99-5

Catalog Number:

AG019X6Z

Molecular Formula:

C12H9F3N2O2

Molecular Weight:

270.2073

Catalog Number:

AG019X6Z

Chemical Name:

2,2,2-trifluoroethyl N-(isoquinolin-5-yl)carbamate

CAS Number:

1152953-99-5

Molecular Formula:

C12H9F3N2O2

Molecular Weight:

270.2073

MDL Number:

MFCD12650265

IUPAC Name:

2,2,2-trifluoroethyl N-isoquinolin-5-ylcarbamate

InChI:

InChI=1S/C12H9F3N2O2/c13-12(14,15)7-19-11(18)17-10-3-1-2-8-6-16-5-4-9(8)10/h1-6H,7H2,(H,17,18)

InChI Key:

ADAHYTGBQZUPHQ-UHFFFAOYSA-N

SMILES:

O=C(Nc1cccc2c1ccnc2)OCC(F)(F)F

Complexity:

323

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

270.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

270.211g/mol

Monoisotopic Mass:

270.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

51.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8