MZG
4-chloro-2-methylphenol
Created: | 2019-04-24 |
Last modified: | 2019-09-11 |
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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 | 4-chloro-2-methylphenol |
Systematic Name (OpenEye OEToolkits) | 4-chloranyl-2-methyl-phenol |
Formula | C7 H7 Cl O |
Molecular Weight | 142.583 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cc(cc(C)c1O)Cl |
SMILES | CACTVS | 3.385 | Cc1cc(Cl)ccc1O |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1O)Cl |
Canonical SMILES | CACTVS | 3.385 | Cc1cc(Cl)ccc1O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1O)Cl |
InChI | InChI | 1.03 | InChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3 |
InChIKey | InChI | 1.03 | RHPUJHQBPORFGV-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 14855 |
ChEMBL | CHEMBL194121 |
ChEBI | CHEBI:1800 |