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95-88-5 | 4-Chlorobenzene-1,3-diol
CAS No: 95-88-5 Catalog No: AG00340G MDL No:MFCD00002273
Product Description
Catalog Number:
AG00340G
Chemical Name:
4-Chlorobenzene-1,3-diol
CAS Number:
95-88-5
Molecular Formula:
C6H5ClO2
Molecular Weight:
144.5557
MDL Number:
MFCD00002273
IUPAC Name:
4-chlorobenzene-1,3-diol
InChI:
InChI=1S/C6H5ClO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H
InChI Key:
JQVAPEJNIZULEK-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)O)Cl
EC Number:
202-462-0
UNII:
87045U29QJ
Properties
Complexity:
97.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.998g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
144.554g/mol
Monoisotopic Mass:
143.998g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Photolysis of 4-chlororesorcinol in water: competitive formation of a singlet ketene and a triplet carbene. | Physical chemistry chemical physics : PCCP 20101114 |
| Monochloramination of resorcinol: mechanism and kinetic modeling. | Environmental science & technology 20091215 |
| Examination and expansion of the substrate range of m-hydroxybenzoate hydroxylase. | Biochemical and biophysical research communications 20080620 |
| Degradation of clofibric acid in acidic aqueous medium by electro-Fenton and photoelectro-Fenton. | Chemosphere 20070101 |
| Field-induced phase transitions and reversible field-induced inversion of chirality in tilted smectic phases of bent-core mesogens. | The European physical journal. E, Soft matter 20061201 |
| Discrete versus infinite molecular self-assembly: control in crystalline hydrogen-bonded assemblies based on resorcinol. | Organic letters 20011129 |
| Voltammetric investigation of hair dye constituents: application to the quantification of p-phenylenediamine. | The Analyst 20011101 |
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