2-amino-4-arsorosophenol;hydrochloride

C6H7AsClNO2 — CID 10844

IUPAC2-amino-4-arsorosophenol;hydrochloride
SMILESCl.Nc1cc([As]=O)ccc1O
InChIInChI=1S/C6H6AsNO2.ClH/c8-5-3-4(7-10)1-2-6(5)9;/h1-3,9H,8H2;1H
InChIKeyJRIGVWDKYXCHMG-UHFFFAOYSA-N
MW235.50 g/mol
LogP0.07
Rot. Bonds1

About 2-amino-4-arsorosophenol;hydrochloride

2-amino-4-arsorosophenol;hydrochloride (PubChem CID 10844) has the molecular formula C6H7AsClNO2 and a molecular weight of 235.50 g/mol. Its IUPAC name is 2-amino-4-arsorosophenol;hydrochloride.

Molecular Properties

Compound Name2-amino-4-arsorosophenol;hydrochloride
PubChem CID10844
Molecular FormulaC6H7AsClNO2
Molecular Weight235.50 g/mol
Exact Mass234.94
IUPAC Name2-amino-4-arsorosophenol;hydrochloride
SMILESCl.Nc1cc([As]=O)ccc1O
InChIInChI=1S/C6H6AsNO2.ClH/c8-5-3-4(7-10)1-2-6(5)9;/h1-3,9H,8H2;1H
InChIKeyJRIGVWDKYXCHMG-UHFFFAOYSA-N
XLogP0.07
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.50
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-arsorosophenol;hydrochloride?
The IUPAC name of 2-amino-4-arsorosophenol;hydrochloride (CID 10844) is 2-amino-4-arsorosophenol;hydrochloride.
What is the SMILES notation for 2-amino-4-arsorosophenol;hydrochloride?
The canonical SMILES for 2-amino-4-arsorosophenol;hydrochloride is Cl.Nc1cc([As]=O)ccc1O.
What is the InChIKey of 2-amino-4-arsorosophenol;hydrochloride?
The InChIKey is JRIGVWDKYXCHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6AsNO2.ClH/c8-5-3-4(7-10)1-2-6(5)9;/h1-3,9H,8H2;1H.
What are the key properties of 2-amino-4-arsorosophenol;hydrochloride?
2-amino-4-arsorosophenol;hydrochloride has a molecular weight of 235.50 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-arsorosophenol;hydrochloride is sourced from PubChem (CID 10844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).