Name: Name:3-chloro-5,6,7,8-tetrahydroisoquinolin-8-one
Brand: Angene
SKU: AG01C27Z
Rating: 90 (10 reviews)

3-chloro-5,6,7,8-tetrahydroisoquinolin-8-one

CAS No.:

1256821-77-8

Catalog Number:

AG01C27Z

Molecular Formula:

C9H8ClNO

Molecular Weight:

181.6189

Catalog Number:

AG01C27Z

Chemical Name:

3-chloro-5,6,7,8-tetrahydroisoquinolin-8-one

CAS Number:

1256821-77-8

Molecular Formula:

C9H8ClNO

Molecular Weight:

181.6189

MDL Number:

MFCD18254745

IUPAC Name:

3-chloro-6,7-dihydro-5H-isoquinolin-8-one

InChI:

InChI=1S/C9H8ClNO/c10-9-4-6-2-1-3-8(12)7(6)5-11-9/h4-5H,1-3H2

InChI Key:

TZXOMPDQLSWHJJ-UHFFFAOYSA-N

SMILES:

Clc1ncc2c(c1)CCCC2=O

Complexity:

195

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

181.029g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

181.619g/mol

Monoisotopic Mass:

181.029g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

30A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9