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113884-76-7 | 6,7-Isoquinolinediol, hydrobromide (1:1)
CAS No: 113884-76-7 Catalog No: AG0009ZN MDL No:
Product Description
Catalog Number:
AG0009ZN
Chemical Name:
6,7-Isoquinolinediol, hydrobromide (1:1)
CAS Number:
113884-76-7
Molecular Formula:
C9H8BrNO2
Molecular Weight:
242.0693
IUPAC Name:
isoquinoline-6,7-diol;hydrobromide
InChI:
InChI=1S/C9H7NO2.BrH/c11-8-3-6-1-2-10-5-7(6)4-9(8)12;/h1-5,11-12H;1H
InChI Key:
OFRUFXYUVKMBPR-UHFFFAOYSA-N
SMILES:
Oc1cc2cnccc2cc1O.Br
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
242.072g/mol
Monoisotopic Mass:
240.974g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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