Home Halogens 4-chlorocinnoline-3-carbonitrile

4-chlorocinnoline-3-carbonitrile

CAS No.:
36721-12-7
Catalog Number:
AG01AHGE
Molecular Formula:
C9H4ClN3
Molecular Weight:
189.6012
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AHGE
Chemical Name:
4-chlorocinnoline-3-carbonitrile
CAS Number:
36721-12-7
Molecular Formula:
C9H4ClN3
Molecular Weight:
189.6012
MDL Number:
MFCD16171757
IUPAC Name:
4-chlorocinnoline-3-carbonitrile
InChI:
InChI=1S/C9H4ClN3/c10-9-6-3-1-2-4-7(6)12-13-8(9)5-11/h1-4H
InChI Key:
QGKKAKSMBUIJMS-UHFFFAOYSA-N
SMILES:
N#Cc1nnc2c(c1Cl)cccc2
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.009g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.602g/mol
Monoisotopic Mass:
189.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties