Home Nitriles 4-Bromoisoquinoline-1-carbonitrile

4-Bromoisoquinoline-1-carbonitrile

CAS No.:
27224-09-5
Catalog Number:
AG00BIJP
Molecular Formula:
C10H5BrN2
Molecular Weight:
233.0641
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Product Description
Catalog Number:
AG00BIJP
Chemical Name:
4-Bromoisoquinoline-1-carbonitrile
CAS Number:
27224-09-5
Molecular Formula:
C10H5BrN2
Molecular Weight:
233.0641
MDL Number:
MFCD11506148
IUPAC Name:
4-bromoisoquinoline-1-carbonitrile
InChI:
InChI=1S/C10H5BrN2/c11-9-6-13-10(5-12)8-4-2-1-3-7(8)9/h1-4,6H
InChI Key:
WYYWXXFJXOJBBJ-UHFFFAOYSA-N
SMILES:
N#Cc1ncc(c2c1cccc2)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