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144018-64-4 | Benzonitrile, 4-(9,10-dihydro-9-anthracenyl)-
CAS No: 144018-64-4 Catalog No: AG001IS9 MDL No:
Product Description
Catalog Number:
AG001IS9
Chemical Name:
Benzonitrile, 4-(9,10-dihydro-9-anthracenyl)-
CAS Number:
144018-64-4
Molecular Formula:
C21H15N
Molecular Weight:
281.3505
IUPAC Name:
4-(9,10-dihydroanthracen-9-yl)benzonitrile
InChI:
InChI=1S/C21H15N/c22-14-15-9-11-16(12-10-15)21-19-7-3-1-5-17(19)13-18-6-2-4-8-20(18)21/h1-12,21H,13H2
InChI Key:
PPXBUWDEJRCLKE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C1c2ccccc2Cc2c1cccc2
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.12g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.358g/mol
Monoisotopic Mass:
281.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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