Home Nitriles 1-Chloroisoquinoline-4-carbonitrile

1-Chloroisoquinoline-4-carbonitrile

CAS No.:
53491-80-8
Catalog Number:
AG00DHUR
Molecular Formula:
C10H5ClN2
Molecular Weight:
188.6131
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95+%
1 week
United States
$495
- +
Product Description
Catalog Number:
AG00DHUR
Chemical Name:
1-Chloroisoquinoline-4-carbonitrile
CAS Number:
53491-80-8
Molecular Formula:
C10H5ClN2
Molecular Weight:
188.6131
MDL Number:
MFCD13193485
IUPAC Name:
1-chloroisoquinoline-4-carbonitrile
InChI:
InChI=1S/C10H5ClN2/c11-10-9-4-2-1-3-8(9)7(5-12)6-13-10/h1-4,6H
InChI Key:
FMQOMPVZLLUVOD-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(c2c1cccc2)Cl
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.014g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.614g/mol
Monoisotopic Mass:
188.014g/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