200,000+ products from a single source!
sales@angenechem.com
82827-09-6 | 6-Bromoisoquinolin-1(2H)-one
CAS No: 82827-09-6 Catalog No: AG0034CF MDL No:MFCD07374394
Product Description
Catalog Number:
AG0034CF
Chemical Name:
6-Bromoisoquinolin-1(2H)-one
CAS Number:
82827-09-6
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
MDL Number:
MFCD07374394
IUPAC Name:
6-bromo-2H-isoquinolin-1-one
InChI:
InChI=1S/C9H6BrNO/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-5H,(H,11,12)
InChI Key:
ZDYXSEQHOVSTPA-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)cc[nH]c2=O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.963g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.057g/mol
Monoisotopic Mass:
222.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.