Home Nitriles cinnoline-4-carbonitrile

cinnoline-4-carbonitrile

CAS No.:
16470-90-9
Catalog Number:
AG001V2U
Molecular Formula:
C9H5N3
Molecular Weight:
155.1561
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Product Description
Catalog Number:
AG001V2U
Chemical Name:
cinnoline-4-carbonitrile
CAS Number:
16470-90-9
Molecular Formula:
C9H5N3
Molecular Weight:
155.1561
MDL Number:
MFCD16657481
IUPAC Name:
cinnoline-4-carbonitrile
InChI:
InChI=1S/C9H5N3/c10-5-7-6-11-12-9-4-2-1-3-8(7)9/h1-4,6H
InChI Key:
SKALQBBFRXNOBD-UHFFFAOYSA-N
SMILES:
N#Cc1cnnc2c1cccc2
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.048g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.16g/mol
Monoisotopic Mass:
155.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties