Home Nitriles 6-Bromo-1-isoquinolinecarbonitrile

6-Bromo-1-isoquinolinecarbonitrile

CAS No.:
1082674-24-5
Catalog Number:
AG008Y6E
Molecular Formula:
C10H5BrN2
Molecular Weight:
233.0641
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Product Description
Catalog Number:
AG008Y6E
Chemical Name:
6-Bromo-1-isoquinolinecarbonitrile
CAS Number:
1082674-24-5
Molecular Formula:
C10H5BrN2
Molecular Weight:
233.0641
MDL Number:
MFCD18633063
IUPAC Name:
6-bromoisoquinoline-1-carbonitrile
InChI:
InChI=1S/C10H5BrN2/c11-8-1-2-9-7(5-8)3-4-13-10(9)6-12/h1-5H
InChI Key:
NOTGHQFEQASFGA-UHFFFAOYSA-N
SMILES:
N#Cc1nccc2c1ccc(c2)Br
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.964g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.068g/mol
Monoisotopic Mass:
231.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties