Name: Name:5-bromo-3-methyl-1,2,3,4-tetrahydroisoquinolin-1-one
Brand: Angene
SKU: AG019ZVE
Rating: 90 (10 reviews)

5-bromo-3-methyl-1,2,3,4-tetrahydroisoquinolin-1-one

CAS No.:

1341149-12-9

Catalog Number:

AG019ZVE

Molecular Formula:

C10H10BrNO

Molecular Weight:

240.0965

Catalog Number:

AG019ZVE

Chemical Name:

5-bromo-3-methyl-1,2,3,4-tetrahydroisoquinolin-1-one

CAS Number:

1341149-12-9

Molecular Formula:

C10H10BrNO

Molecular Weight:

240.0965

MDL Number:

MFCD20287141

IUPAC Name:

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

InChI:

InChI=1S/C10H10BrNO/c1-6-5-8-7(10(13)12-6)3-2-4-9(8)11/h2-4,6H,5H2,1H3,(H,12,13)

InChI Key:

TXSSOAPEHHIASE-UHFFFAOYSA-N

SMILES:

CC1NC(=O)c2c(C1)c(Br)ccc2

Complexity:

219

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

238.995g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

240.1g/mol

Monoisotopic Mass:

238.995g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4