Home Other Building Blocks 4-BROMO-ISOQUINOLINE 2-OXIDE

4-BROMO-ISOQUINOLINE 2-OXIDE

CAS No.:
3749-21-1
Catalog Number:
AG00C8UE
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
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Product Description
Catalog Number:
AG00C8UE
Chemical Name:
4-BROMO-ISOQUINOLINE 2-OXIDE
CAS Number:
3749-21-1
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
MDL Number:
MFCD00234486
IUPAC Name:
4-bromo-2-oxidoisoquinolin-2-ium
InChI:
InChI=1S/C9H6BrNO/c10-9-6-11(12)5-7-3-1-2-4-8(7)9/h1-6H
InChI Key:
QGDQDTDMWYCQPV-UHFFFAOYSA-N
SMILES:
[O-][n+]1cc2ccccc2c(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:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.057g/mol
Monoisotopic Mass:
222.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties