Home Nitriles 4-Chloroquinoline-2-carbonitrile

4-Chloroquinoline-2-carbonitrile

CAS No.:
4552-43-6
Catalog Number:
AG006ZIV
Molecular Formula:
C10H5ClN2
Molecular Weight:
188.6131
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Product Description
Catalog Number:
AG006ZIV
Chemical Name:
4-Chloroquinoline-2-carbonitrile
CAS Number:
4552-43-6
Molecular Formula:
C10H5ClN2
Molecular Weight:
188.6131
MDL Number:
MFCD08705675
IUPAC Name:
4-chloroquinoline-2-carbonitrile
InChI:
InChI=1S/C10H5ClN2/c11-9-5-7(6-12)13-10-4-2-1-3-8(9)10/h1-5H
InChI Key:
ZTVAHLPRNFKXBF-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)c2c(n1)cccc2
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:
2.9  
Properties