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13174-94-2 | 1-(4-Methylpyridin-2-yl)-1H-1,2,3-benzotriazole
CAS No: 13174-94-2 Catalog No: AG01ES71 MDL No:
Product Description
Catalog Number:
AG01ES71
Chemical Name:
1-(4-Methylpyridin-2-yl)-1H-1,2,3-benzotriazole
CAS Number:
13174-94-2
Molecular Formula:
C12H10N4
Molecular Weight:
210.2346
IUPAC Name:
1-(4-methylpyridin-2-yl)benzotriazole
InChI:
InChI=1S/C12H10N4/c1-9-6-7-13-12(8-9)16-11-5-3-2-4-10(11)14-15-16/h2-8H,1H3
InChI Key:
OHMBNAUEKDALDC-UHFFFAOYSA-N
SMILES:
Cc1ccnc(c1)n1nnc2c1cccc2
Properties
Complexity:
245
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:
1
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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