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Home > Imidazoles > 94526-48-4
94526-48-4 | Spiro[2H-benzimidazole-2,1'-cyclohexane], 5-azido-
CAS No: 94526-48-4 Catalog No: AG005WKG MDL No:
Product Description
Catalog Number:
AG005WKG
Chemical Name:
Spiro[2H-benzimidazole-2,1'-cyclohexane], 5-azido-
CAS Number:
94526-48-4
Molecular Formula:
C12H13N5
Molecular Weight:
227.2651
IUPAC Name:
5-azidospiro[benzimidazole-2,1'-cyclohexane]
InChI:
InChI=1S/C12H13N5/c13-17-16-9-4-5-10-11(8-9)15-12(14-10)6-2-1-3-7-12/h4-5,8H,1-3,6-7H2
InChI Key:
FBVPHRADRHVGCI-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc2=NC3(N=c2c1)CCCCC3
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.117g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.271g/mol
Monoisotopic Mass:
227.117g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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