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72851-41-3 | BENZO[K]FLUORANTHENE-7,12-DICARBONITRILE
CAS No: 72851-41-3 Catalog No: AG005E82 MDL No:
Product Description
Catalog Number:
AG005E82
Chemical Name:
BENZO[K]FLUORANTHENE-7,12-DICARBONITRILE
CAS Number:
72851-41-3
Molecular Formula:
C22H10N2
Molecular Weight:
302.3282
IUPAC Name:
benzo[k]fluoranthene-7,12-dicarbonitrile
InChI:
InChI=1S/C22H10N2/c23-11-18-14-7-1-2-8-15(14)19(12-24)22-17-10-4-6-13-5-3-9-16(20(13)17)21(18)22/h1-10H
InChI Key:
OIELEHOHWKWREL-UHFFFAOYSA-N
SMILES:
N#Cc1c2ccccc2c(c2c1c1cccc3c1c2ccc3)C#N
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.084g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.336g/mol
Monoisotopic Mass:
302.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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