CAS 1123-63-3 | 4-Chloro-2,6-dimethylphenol | CAS Number 1123-63-3

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1123-63-3 | 4-Chloro-2,6-dimethylphenol

CAS No: 1123-63-3 Catalog No: AG003L2U MDL No:MFCD00020138

Product Description

Catalog Number:

AG003L2U

Chemical Name:

4-Chloro-2,6-dimethylphenol

CAS Number:

1123-63-3

Molecular Formula:

C8H9ClO

Molecular Weight:

156.6095

MDL Number:

MFCD00020138

IUPAC Name:

4-chloro-2,6-dimethylphenol

InChI:

InChI=1S/C8H9ClO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3

InChI Key:

VWYKSJIPZHRLNO-UHFFFAOYSA-N

SMILES:

Clc1cc(C)c(c(c1)C)O

EC Number:

214-376-0

NSC Number:

5785

Properties

Complexity:

104

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

156.034g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

156.609g/mol

Monoisotopic Mass:

156.034g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Identification of three classes of heteroaromatic compounds with activity against intracellular Trypanosoma cruzi by chemical library screening.	PLoS neglected tropical diseases 20090201
High-affinity blockade of voltage-operated skeletal muscle sodium channels by 2,6-dimethyl-4-chlorophenol.	European journal of anaesthesiology 20060301
Aryl cation and carbene intermediates in the photodehalogenation of chlorophenols.	Chemistry (Weinheim an der Bergstrasse, Germany) 20041217