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Home > Pyridines > 125713-96-4
125713-96-4 | Pyridinium, 1-(1H-benzotriazol-1-ylmethyl)-
CAS No: 125713-96-4 Catalog No: AG000OJM MDL No:
Product Description
Catalog Number:
AG000OJM
Chemical Name:
Pyridinium, 1-(1H-benzotriazol-1-ylmethyl)-
CAS Number:
125713-96-4
Molecular Formula:
C12H11N4+
Molecular Weight:
211.2425
IUPAC Name:
1-(2H-pyridin-1-ylmethyl)benzotriazole
InChI:
InChI=1S/C12H12N4/c1-4-8-15(9-5-1)10-16-12-7-3-2-6-11(12)13-14-16/h1-8H,9-10H2
InChI Key:
ZNPLOJPOKFITRO-UHFFFAOYSA-N
SMILES:
c1cc[n+](cc1)Cn1nnc2c1cccc2
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.256g/mol
Monoisotopic Mass:
212.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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