Home Other Building Blocks 5-BROMOISOQUINOLIN-3-OL

5-BROMOISOQUINOLIN-3-OL

CAS No.:
1175271-86-9
Catalog Number:
AG00924R
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
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Product Description
Catalog Number:
AG00924R
Chemical Name:
5-BROMOISOQUINOLIN-3-OL
CAS Number:
1175271-86-9
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
MDL Number:
MFCD11040413
IUPAC Name:
5-bromo-2H-isoquinolin-3-one
InChI:
InChI=1S/C9H6BrNO/c10-8-3-1-2-6-5-11-9(12)4-7(6)8/h1-5H,(H,11,12)
InChI Key:
PEPBAJBUKPWIEN-UHFFFAOYSA-N
SMILES:
Oc1ncc2c(c1)c(Br)ccc2
Properties
Complexity:
361  
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:
1  
Properties