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66571-30-0 | 1-(pyridin-4-yl)-1h-benzotriazole
CAS No: 66571-30-0 Catalog No: AG00H874 MDL No:
Product Description
Catalog Number:
AG00H874
Chemical Name:
1-(pyridin-4-yl)-1h-benzotriazole
CAS Number:
66571-30-0
Molecular Formula:
C11H8N4
Molecular Weight:
196.2080
IUPAC Name:
1-pyridin-4-ylbenzotriazole
InChI:
InChI=1S/C11H8N4/c1-2-4-11-10(3-1)13-14-15(11)9-5-7-12-8-6-9/h1-8H
InChI Key:
VYPSCVFMEKLKGG-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)n1nnc2c1cccc2
NSC Number:
155703
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.213g/mol
Monoisotopic Mass:
196.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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