Home Halogens 8-bromo-4-hydroxyquinoline-3-carbonitrile

8-bromo-4-hydroxyquinoline-3-carbonitrile

CAS No.:
61338-14-5
Catalog Number:
AG01B7YK
Molecular Formula:
C10H5BrN2O
Molecular Weight:
249.0635
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Product Description
Catalog Number:
AG01B7YK
Chemical Name:
8-bromo-4-hydroxyquinoline-3-carbonitrile
CAS Number:
61338-14-5
Molecular Formula:
C10H5BrN2O
Molecular Weight:
249.0635
MDL Number:
MFCD13181171
IUPAC Name:
8-bromo-4-oxo-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C10H5BrN2O/c11-8-3-1-2-7-9(8)13-5-6(4-12)10(7)14/h1-3,5H,(H,13,14)
InChI Key:
KBHILCCHUNDPIU-UHFFFAOYSA-N
SMILES:
N#Cc1cnc2c(c1O)cccc2Br
Properties
Complexity:
341  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.959g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.067g/mol
Monoisotopic Mass:
247.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties