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18125-24-1 | Benzo[f]quinoline-3-carbonitrile
CAS No: 18125-24-1 Catalog No: AG0022S4 MDL No:
Product Description
Catalog Number:
AG0022S4
Chemical Name:
Benzo[f]quinoline-3-carbonitrile
CAS Number:
18125-24-1
Molecular Formula:
C14H8N2
Molecular Weight:
204.2267
IUPAC Name:
benzo[f]quinoline-3-carbonitrile
InChI:
InChI=1S/C14H8N2/c15-9-11-6-7-13-12-4-2-1-3-10(12)5-8-14(13)16-11/h1-8H
InChI Key:
QAUWDZGWYCICEZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(n1)ccc1c2cccc1
NSC Number:
126697
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.232g/mol
Monoisotopic Mass:
204.069g/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
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