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89781-80-6 | 1H-Imidazole, 1-(1,2,3,4-tetrahydro-2-naphthalenyl)-
CAS No: 89781-80-6 Catalog No: AG004094 MDL No:
Product Description
Catalog Number:
AG004094
Chemical Name:
1H-Imidazole, 1-(1,2,3,4-tetrahydro-2-naphthalenyl)-
CAS Number:
89781-80-6
Molecular Formula:
C13H14N2
Molecular Weight:
198.2637
IUPAC Name:
1-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazole
InChI:
InChI=1S/C13H14N2/c1-2-4-12-9-13(6-5-11(12)3-1)15-8-7-14-10-15/h1-4,7-8,10,13H,5-6,9H2
InChI Key:
RAIOHQDCXSHSDF-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)CC(CC2)n1cncc1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.269g/mol
Monoisotopic Mass:
198.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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