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1220694-88-1

1220694-88-1 | 6-Isoquinolinol, 8-bromo-

CAS No: 1220694-88-1 Catalog No: AG0016PS MDL No:

Product Description

Catalog Number:
AG0016PS
Chemical Name:
6-Isoquinolinol, 8-bromo-
CAS Number:
1220694-88-1
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
IUPAC Name:
8-bromoisoquinolin-6-ol
InChI:
InChI=1S/C9H6BrNO/c10-9-4-7(12)3-6-1-2-11-5-8(6)9/h1-5,12H
InChI Key:
SVMOLLGJWZXMCX-UHFFFAOYSA-N
SMILES:
Oc1cc2ccncc2c(c1)Br

Properties

Complexity:
165  
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:
2  
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:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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