CAS 3147-76-0 | 2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-(tert-butyl)phenol | CAS Number 3147-76-0

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3147-76-0 | 2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-(tert-butyl)phenol

CAS No: 3147-76-0 Catalog No: AG003EY8 MDL No:MFCD03844795

Product Description

Catalog Number:

AG003EY8

Chemical Name:

2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-(tert-butyl)phenol

CAS Number:

3147-76-0

Molecular Formula:

C16H17N3O

Molecular Weight:

267.3257

MDL Number:

MFCD03844795

IUPAC Name:

2-(benzotriazol-2-yl)-4-tert-butylphenol

InChI:

InChI=1S/C16H17N3O/c1-16(2,3)11-8-9-15(20)14(10-11)19-17-12-6-4-5-7-13(12)18-19/h4-10,20H,1-3H3

InChI Key:

WXHVQMGINBSVAY-UHFFFAOYSA-N

SMILES:

Oc1ccc(cc1n1nc2c(n1)cccc2)C(C)(C)C

EC Number:

221-574-0

Properties

Complexity:

327

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

267.137g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

267.332g/mol

Monoisotopic Mass:

267.137g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

50.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.6

Literature

Title	Journal
Concentrations and composition profiles of benzotriazole UV stabilizers in municipal sewage sludge in China.	Environmental science & technology 20120221
Determination of benzotriazole and benzophenone UV filters in sediment and sewage sludge.	Environmental science & technology 20110501