Name: Name:1-[6-(2-chloroacetyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]-2,2,2-trifluoroethan-1-one
Brand: Angene
SKU: AG01AFL0
Rating: 90 (10 reviews)

1-[6-(2-chloroacetyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]-2,2,2-trifluoroethan-1-one

CAS No.:

1803611-75-7

Catalog Number:

AG01AFL0

Molecular Formula:

C13H11ClF3NO2

Molecular Weight:

305.6801

Catalog Number:

AG01AFL0

Chemical Name:

1-[6-(2-chloroacetyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]-2,2,2-trifluoroethan-1-one

CAS Number:

1803611-75-7

Molecular Formula:

C13H11ClF3NO2

Molecular Weight:

305.6801

MDL Number:

MFCD27920208

IUPAC Name:

1-[6-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2,2,2-trifluoroethanone

InChI:

InChI=1S/C13H11ClF3NO2/c14-6-11(19)9-1-2-10-7-18(4-3-8(10)5-9)12(20)13(15,16)17/h1-2,5H,3-4,6-7H2

InChI Key:

ZNBOWGFMDDQGJG-UHFFFAOYSA-N

SMILES:

ClCC(=O)c1ccc2c(c1)CCN(C2)C(=O)C(F)(F)F

Complexity:

400

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

305.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

305.681g/mol

Monoisotopic Mass:

305.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7