Name: Name:5-bromo-3-ethyl-1,2,3,4-tetrahydroisoquinolin-1-one
Brand: Angene
SKU: AG019ZVF
Rating: 90 (10 reviews)

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

CAS No.:

1339869-22-5

Catalog Number:

AG019ZVF

Molecular Formula:

C11H12BrNO

Molecular Weight:

254.1231

Catalog Number:

AG019ZVF

Chemical Name:

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

CAS Number:

1339869-22-5

Molecular Formula:

C11H12BrNO

Molecular Weight:

254.1231

MDL Number:

MFCD20287163

IUPAC Name:

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

InChI:

InChI=1S/C11H12BrNO/c1-2-7-6-9-8(11(14)13-7)4-3-5-10(9)12/h3-5,7H,2,6H2,1H3,(H,13,14)

InChI Key:

MAANYRXFXUAIRN-UHFFFAOYSA-N

SMILES:

CCC1NC(=O)c2c(C1)c(Br)ccc2

Complexity:

231

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.01g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

254.127g/mol

Monoisotopic Mass:

253.01g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9