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275-94-5

275-94-5 | Cycloheptimidazole

CAS No: 275-94-5 Catalog No: AG002TYD MDL No:

Product Description

Catalog Number:
AG002TYD
Chemical Name:
Cycloheptimidazole
CAS Number:
275-94-5
Molecular Formula:
C8H6N2
Molecular Weight:
130.1466
IUPAC Name:
cyclohepta[d]imidazole
InChI:
InChI=1S/C8H6N2/c1-2-4-7-8(5-3-1)10-6-9-7/h1-6H
InChI Key:
HPGSSIJHLUDJFV-UHFFFAOYSA-N
SMILES:
c1ccc2c(cc1)ncn2

Properties

Complexity:
102  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.053g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.15g/mol
Monoisotopic Mass:
130.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Literature

Title Journal
A novel biaxial smectic liquid crystalline phase formed by rodlike molecules with a 1,3-diazaazulene skeleton. Journal of the American Chemical Society 20030604

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