CAS 119290-91-4 | 1,2,4-Benzenetriol, 5-chloro- | CAS Number 119290-91-4

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119290-91-4 | 1,2,4-Benzenetriol, 5-chloro-

CAS No: 119290-91-4 Catalog No: AG000IIK MDL No:

Product Description

Catalog Number:

AG000IIK

Chemical Name:

1,2,4-Benzenetriol, 5-chloro-

CAS Number:

119290-91-4

Molecular Formula:

C6H5ClO3

Molecular Weight:

160.5551

IUPAC Name:

5-chlorobenzene-1,2,4-triol

InChI:

InChI=1S/C6H5ClO3/c7-3-1-5(9)6(10)2-4(3)8/h1-2,8-10H

InChI Key:

RSJCPOVKDYSWAP-UHFFFAOYSA-N

SMILES:

Oc1cc(Cl)c(cc1O)O

Properties

Complexity:

120

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

159.993g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

160.553g/mol

Monoisotopic Mass:

159.993g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

60.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Novel pathway for conversion of chlorohydroxyquinol to maleylacetate in Burkholderia cepacia AC1100.	Journal of bacteriology 19980901
Sequence analysis of a gene cluster involved in metabolism of 2,4,5-trichlorophenoxyacetic acid by Burkholderia cepacia AC1100.	Applied and environmental microbiology 19950401