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Home > Imidazoles > 89781-69-1
89781-69-1 | 2-Naphthalenecarbonitrile, 7,8-dihydro-6-(1H-imidazol-1-yl)-
CAS No: 89781-69-1 Catalog No: AG004095 MDL No:
Product Description
Catalog Number:
AG004095
Chemical Name:
2-Naphthalenecarbonitrile, 7,8-dihydro-6-(1H-imidazol-1-yl)-
CAS Number:
89781-69-1
Molecular Formula:
C14H11N3
Molecular Weight:
221.2572
IUPAC Name:
6-imidazol-1-yl-7,8-dihydronaphthalene-2-carbonitrile
InChI:
InChI=1S/C14H11N3/c15-9-11-1-2-13-8-14(4-3-12(13)7-11)17-6-5-16-10-17/h1-2,5-8,10H,3-4H2
InChI Key:
FJVRBJBZDWTUKQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)CCC(=C2)n1cncc1
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.263g/mol
Monoisotopic Mass:
221.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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