Home Other Building Blocks 1-Benzyl-1H-1,2,3-benzotriazol-3-ium-3-olate

1-Benzyl-1H-1,2,3-benzotriazol-3-ium-3-olate

CAS No.:
360787-19-5
Catalog Number:
AG01EVP6
Molecular Formula:
C13H11N3O
Molecular Weight:
225.2459
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
97%
1 week
United States
$121
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Product Description
Catalog Number:
AG01EVP6
Chemical Name:
1-Benzyl-1H-1,2,3-benzotriazol-3-ium-3-olate
CAS Number:
360787-19-5
Molecular Formula:
C13H11N3O
Molecular Weight:
225.2459
IUPAC Name:
1-benzyl-3-oxidobenzotriazol-3-ium
InChI:
InChI=1S/C13H11N3O/c17-16-13-9-5-4-8-12(13)15(14-16)10-11-6-2-1-3-7-11/h1-9H,10H2
InChI Key:
OYSSLHDIYFWEHA-UHFFFAOYSA-N
SMILES:
[O-][n+]1nn(c2c1cccc2)Cc1ccccc1
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.09g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.251g/mol
Monoisotopic Mass:
225.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties