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2440-22-4 | 2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-methylphenol
CAS No: 2440-22-4 Catalog No: AG003B27 MDL No:MFCD00022903
Product Description
Catalog Number:
AG003B27
Chemical Name:
2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-methylphenol
CAS Number:
2440-22-4
Molecular Formula:
C13H11N3O
Molecular Weight:
225.2459
MDL Number:
MFCD00022903
IUPAC Name:
2-(benzotriazol-2-yl)-4-methylphenol
InChI:
InChI=1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3
InChI Key:
MCPKSFINULVDNX-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)n1nc2c(n1)cccc2)O
UNII:
5X93W9OFZL
NSC Number:
91885
Properties
Complexity:
259
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:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.251g/mol
Monoisotopic Mass:
225.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Agonistic effects of diverse xenobiotics on the constitutive androstane receptor as detected in a recombinant yeast-cell assay. | Toxicology in vitro : an international journal published in association with BIBRA 20180201 |
| Concentrations and composition profiles of benzotriazole UV stabilizers in municipal sewage sludge in China. | Environmental science & technology 20120221 |
| Ovariectomized mouse uterotrophic assay of 36 chemicals. | The Journal of toxicological sciences 20120101 |
| Bis[2-(2H-benzotriazol-2-yl)-4-methylphenolato]palladium(II). | Acta crystallographica. Section E, Structure reports online 20090601 |
| [Synthesis and spectra of novel metal complexes of multi-nitrogen heterocyclic ligand]. | Guang pu xue yu guang pu fen xi = Guang pu 20081101 |
| Zinc complex based on 2-(5-methyl-2-hydroxyphenyl)benzotriazole: synthesis and electroluminescence characteristics. | Journal of nanoscience and nanotechnology 20081001 |
| Structural studies of two Tinuvin P analogs: 2-(2,4-dimethylphenyl)-2H-benzotriazole and 2-phenyl-2H-benzotriazole. | Molecules (Basel, Switzerland) 20070921 |
| Mode-selective O-H stretching relaxation in a hydrogen bond studied by ultrafast vibrational spectroscopy. | The Journal of chemical physics 20060821 |
| 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 |
| [Studies for analyzing the restricted ingredients such as 2-(2'-hydroxy-5'-methylphenyl)-benzotriazole]. | Kokuritsu Iyakuhin Shokuhin Eisei Kenkyujo hokoku = Bulletin of National Institute of Health Sciences 20020101 |
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