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Home > Other Heterocycles > 870889-34-2
870889-34-2 | 1-Naphthalenecarbonitrile, 4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-
CAS No: 870889-34-2 Catalog No: AG004LKJ MDL No:
Product Description
Catalog Number:
AG004LKJ
Chemical Name:
1-Naphthalenecarbonitrile, 4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-
CAS Number:
870889-34-2
Molecular Formula:
C18H16N2
Molecular Weight:
260.3330
IUPAC Name:
4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)naphthalene-1-carbonitrile
InChI:
InChI=1S/C18H16N2/c19-12-13-8-11-18(17-7-2-1-6-16(13)17)20-14-4-3-5-15(20)10-9-14/h1-4,6-8,11,14-15H,5,9-10H2
InChI Key:
ZKTXIZYBNMKPOW-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1cccc2)N1C2CC=CC1CC2
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.34g/mol
Monoisotopic Mass:
260.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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