Name: Name:4-bromo-5,6,7,8-tetrahydro-1(2H)-Isoquinolinone
Brand: Angene
SKU: AG00H3D2
Rating: 90 (10 reviews)

4-bromo-5,6,7,8-tetrahydro-1(2H)-Isoquinolinone

CAS No.:

860368-23-6

Catalog Number:

AG00H3D2

Molecular Formula:

C9H10BrNO

Molecular Weight:

228.0858

Catalog Number:

AG00H3D2

Chemical Name:

4-bromo-5,6,7,8-tetrahydro-1(2H)-Isoquinolinone

CAS Number:

860368-23-6

Molecular Formula:

C9H10BrNO

Molecular Weight:

228.0858

MDL Number:

MFCD27930228

IUPAC Name:

4-bromo-5,6,7,8-tetrahydro-2H-isoquinolin-1-one

InChI:

InChI=1S/C9H10BrNO/c10-8-5-11-9(12)7-4-2-1-3-6(7)8/h5H,1-4H2,(H,11,12)

InChI Key:

NPTZFIQKKHWANG-UHFFFAOYSA-N

SMILES:

O=c1[nH]cc(c2c1CCCC2)Br

Complexity:

291

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.995g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

228.089g/mol

Monoisotopic Mass:

226.995g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6