2,6-Dichlorophenol
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CAS Number 87-65-0
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Catalog Number io-2178
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Classification Acids
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Molecular Weight 163.0000
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SMILES C1=CC(=C(C(=C1)Cl)O)Cl
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2,6-dichlorophenol is a dichlorophenol with the chloro substituents at positions 2 and 6.
1 | 2,6-DICHLOROPHENOL |
2 | Phenol, 2,6-dichloro- |
3 | 2,6-Dichlorfenol |
4 | RCRA waste number U082 |
5 | 2,6-dichloro-phenol |
Molecular Formula | C6H4Cl2O |
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Canonical SMILES | C1=CC(=C(C(=C1)Cl)O)Cl |
Isomeric SMILES | C1=CC(=C(C(=C1)Cl)O)Cl |
Molecular Weight | 163.0000 |
InChIKey | HOLHYSJJBXSLMV-UHFFFAOYSA-N |
InChI | InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H |
XLogP | 2.7000 |
ExactMass | 161.9639 |
MonoisotopicMass | 161.9639 |
TPSA | 20.2000 |
Complexity | 87.0000 |
Charge | 0.0000 |
HBondDonorCount | 1 |
HBondAcceptorCount | 1 |
RotatableBondCount | 0 |
HeavyAtomCount | 9 |
IsotopeAtomCount | 0 |
AtomStereoCount | 0 |
DefinedAtomStereoCount | 0 |
UndefinedAtomStereoCount | 0 |
BondStereoCount | 0 |
DefinedBondStereoCount | 0 |
UndefinedBondStereoCount | 0 |
CovalentUnitCount | 1 |
PatentCount | 5304 |
PatentFamilyCount | 2335 |
LiteratureCount | 790 |