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200062-46-0

200062-46-0 | 4-Cinnolinecarbonitrile, 3-phenyl-

CAS No: 200062-46-0 Catalog No: AG002CIL MDL No:

Product Description

Catalog Number:
AG002CIL
Chemical Name:
4-Cinnolinecarbonitrile, 3-phenyl-
CAS Number:
200062-46-0
Molecular Formula:
C15H9N3
Molecular Weight:
231.2521
IUPAC Name:
3-phenylcinnoline-4-carbonitrile
InChI:
InChI=1S/C15H9N3/c16-10-13-12-8-4-5-9-14(12)17-18-15(13)11-6-2-1-3-7-11/h1-9H
InChI Key:
DRJTYCBLEXSORL-UHFFFAOYSA-N
SMILES:
N#Cc1c(nnc2c1cccc2)c1ccccc1

Properties

Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.08g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.258g/mol
Monoisotopic Mass:
231.08g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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