Name: Name:5-bromo-7-chloro-1,2,3,4-tetrahydroisoquinolin-1-one
Brand: Angene
SKU: AG01AC1Y
Rating: 90 (10 reviews)

5-bromo-7-chloro-1,2,3,4-tetrahydroisoquinolin-1-one

CAS No.:

1508551-16-3

Catalog Number:

AG01AC1Y

Molecular Formula:

C9H7BrClNO

Molecular Weight:

260.5150

Catalog Number:

AG01AC1Y

Chemical Name:

5-bromo-7-chloro-1,2,3,4-tetrahydroisoquinolin-1-one

CAS Number:

1508551-16-3

Molecular Formula:

C9H7BrClNO

Molecular Weight:

260.5150

MDL Number:

MFCD24130030

IUPAC Name:

5-bromo-7-chloro-3,4-dihydro-2H-isoquinolin-1-one

InChI:

InChI=1S/C9H7BrClNO/c10-8-4-5(11)3-7-6(8)1-2-12-9(7)13/h3-4H,1-2H2,(H,12,13)

InChI Key:

YJTCNFMDEZKMSO-UHFFFAOYSA-N

SMILES:

Clc1cc(Br)c2c(c1)C(=O)NCC2

Complexity:

224

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

258.94g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

260.515g/mol

Monoisotopic Mass:

258.94g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6