Home Nitriles 1-Chloroisoquinoline-5-carbonitrile

1-Chloroisoquinoline-5-carbonitrile

CAS No.:
1231761-23-1
Catalog Number:
AG00AA3U
Molecular Formula:
C10H5ClN2
Molecular Weight:
188.6131
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Product Description
Catalog Number:
AG00AA3U
Chemical Name:
1-Chloroisoquinoline-5-carbonitrile
CAS Number:
1231761-23-1
Molecular Formula:
C10H5ClN2
Molecular Weight:
188.6131
MDL Number:
MFCD18250893
IUPAC Name:
1-chloroisoquinoline-5-carbonitrile
InChI:
InChI=1S/C10H5ClN2/c11-10-9-3-1-2-7(6-12)8(9)4-5-13-10/h1-5H
InChI Key:
CXFDSWMDWPVWKF-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1ccnc2Cl
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