4-amino-2,3-dichlorophenol;hydrogen sulfate;hydron

C6H7Cl2NO5S — CID 173339522

IUPAC4-amino-2,3-dichlorophenol;hydrogen sulfate;hydron
SMILESNc1ccc(O)c(Cl)c1Cl.O=S(=O)([O-])O.[H+]
InChIInChI=1S/C6H5Cl2NO.H2O4S/c7-5-3(9)1-2-4(10)6(5)8;1-5(2,3)4/h1-2,10H,9H2;(H2,1,2,3,4)
InChIKeyLCWSEAIMOHDXKM-UHFFFAOYSA-N
MW276.10 g/mol
LogP1.40
Rot. Bonds

About 4-amino-2,3-dichlorophenol;hydrogen sulfate;hydron

4-amino-2,3-dichlorophenol;hydrogen sulfate;hydron (PubChem CID 173339522) has the molecular formula C6H7Cl2NO5S and a molecular weight of 276.10 g/mol. Its IUPAC name is 4-amino-2,3-dichlorophenol;hydrogen sulfate;hydron.

Molecular Properties

Compound Name4-amino-2,3-dichlorophenol;hydrogen sulfate;hydron
PubChem CID173339522
Molecular FormulaC6H7Cl2NO5S
Molecular Weight276.10 g/mol
Exact Mass274.94
IUPAC Name4-amino-2,3-dichlorophenol;hydrogen sulfate;hydron
SMILESNc1ccc(O)c(Cl)c1Cl.O=S(=O)([O-])O.[H+]
InChIInChI=1S/C6H5Cl2NO.H2O4S/c7-5-3(9)1-2-4(10)6(5)8;1-5(2,3)4/h1-2,10H,9H2;(H2,1,2,3,4)
InChIKeyLCWSEAIMOHDXKM-UHFFFAOYSA-N
XLogP1.40
TPSA123.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,3-dichlorophenol;hydrogen sulfate;hydron?
The IUPAC name of 4-amino-2,3-dichlorophenol;hydrogen sulfate;hydron (CID 173339522) is 4-amino-2,3-dichlorophenol;hydrogen sulfate;hydron.
What is the SMILES notation for 4-amino-2,3-dichlorophenol;hydrogen sulfate;hydron?
The canonical SMILES for 4-amino-2,3-dichlorophenol;hydrogen sulfate;hydron is Nc1ccc(O)c(Cl)c1Cl.O=S(=O)([O-])O.[H+].
What is the InChIKey of 4-amino-2,3-dichlorophenol;hydrogen sulfate;hydron?
The InChIKey is LCWSEAIMOHDXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO.H2O4S/c7-5-3(9)1-2-4(10)6(5)8;1-5(2,3)4/h1-2,10H,9H2;(H2,1,2,3,4).
What are the key properties of 4-amino-2,3-dichlorophenol;hydrogen sulfate;hydron?
4-amino-2,3-dichlorophenol;hydrogen sulfate;hydron has a molecular weight of 276.10 g/mol, XLogP of 1.40, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,3-dichlorophenol;hydrogen sulfate;hydron is sourced from PubChem (CID 173339522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).