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Home > Pyridines > 150638-33-8
150638-33-8 | 1-(Pyridin-3-ylmethyl)-1H-1,2,3-benzotriazole
CAS No: 150638-33-8 Catalog No: AG01EU89 MDL No:
Product Description
Catalog Number:
AG01EU89
Chemical Name:
1-(Pyridin-3-ylmethyl)-1H-1,2,3-benzotriazole
CAS Number:
150638-33-8
Molecular Formula:
C12H10N4
Molecular Weight:
210.2346
IUPAC Name:
1-(pyridin-3-ylmethyl)benzotriazole
InChI:
InChI=1S/C12H10N4/c1-2-6-12-11(5-1)14-15-16(12)9-10-4-3-7-13-8-10/h1-8H,9H2
InChI Key:
WMZXXRGIQZAKJB-UHFFFAOYSA-N
SMILES:
c1ccc(cn1)Cn1nnc2c1cccc2
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.091g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.24g/mol
Monoisotopic Mass:
210.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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