CAS 137-19-9 | 1,3-Benzenediol, 4,6-dichloro- | CAS Number 137-19-9

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137-19-9 | 1,3-Benzenediol, 4,6-dichloro-

CAS No: 137-19-9 Catalog No: AG0012OF MDL No:MFCD00002274

Product Description

Catalog Number:

AG0012OF

Chemical Name:

1,3-Benzenediol, 4,6-dichloro-

CAS Number:

137-19-9

Molecular Formula:

C6H4Cl2O2

Molecular Weight:

179.0008

MDL Number:

MFCD00002274

IUPAC Name:

4,6-dichlorobenzene-1,3-diol

InChI:

InChI=1S/C6H4Cl2O2/c7-3-1-4(8)6(10)2-5(3)9/h1-2,9-10H

InChI Key:

GRLQBYQELUWBIO-UHFFFAOYSA-N

SMILES:

Clc1cc(Cl)c(cc1O)O

EC Number:

205-284-1

NSC Number:

60650

Properties

Complexity:

108

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

177.959g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

178.996g/mol

Monoisotopic Mass:

177.959g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title	Journal
Monochloramination of resorcinol: mechanism and kinetic modeling.	Environmental science & technology 20091215
Relationships between molecular structure and physical properties in bent-core mesogens.	Philosophical transactions. Series A, Mathematical, physical, and engineering sciences 20061015