Home Other Building Blocks 1-(2-azidoethyl)-1H-1,3-benzodiazole

1-(2-azidoethyl)-1H-1,3-benzodiazole

CAS No.:
1247135-06-3
Catalog Number:
AG01A3A3
Molecular Formula:
C9H9N5
Molecular Weight:
187.2013
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Product Description
Catalog Number:
AG01A3A3
Chemical Name:
1-(2-azidoethyl)-1H-1,3-benzodiazole
CAS Number:
1247135-06-3
Molecular Formula:
C9H9N5
Molecular Weight:
187.2013
MDL Number:
MFCD14658373
IUPAC Name:
1-(2-azidoethyl)benzimidazole
InChI:
InChI=1S/C9H9N5/c10-13-12-5-6-14-7-11-8-3-1-2-4-9(8)14/h1-4,7H,5-6H2
InChI Key:
OTHSIBYYPPIMQY-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCCn1cnc2c1cccc2
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.086g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.206g/mol
Monoisotopic Mass:
187.086g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
32.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties