FGZ
3,5-dichloro-4-hydroxybenzoic acid
Created: | 2016-05-17 |
Last modified: | 2017-04-05 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 16 |
Chiral Atom Count | 0 |
Bond Count | 16 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 3,5-dichloro-4-hydroxybenzoic acid |
Systematic Name (OpenEye OEToolkits) | 3,5-bis(chloranyl)-4-oxidanyl-benzoic acid |
Formula | C7 H4 Cl2 O3 |
Molecular Weight | 207.011 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1cc(Cl)c(O)c(Cl)c1)O |
SMILES | CACTVS | 3.385 | OC(=O)c1cc(Cl)c(O)c(Cl)c1 |
SMILES | OpenEye OEToolkits | 2.0.4 | c1c(cc(c(c1Cl)O)Cl)C(=O)O |
Canonical SMILES | CACTVS | 3.385 | OC(=O)c1cc(Cl)c(O)c(Cl)c1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.4 | c1c(cc(c(c1Cl)O)Cl)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C7H4Cl2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12) |
InChIKey | InChI | 1.03 | AULKDLUOQCUNOK-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 18749 |
ChEBI | CHEBI:53685 |