(3-amino-4-hydroxyphenyl)-chloroarsinous acid

C6H7AsClNO2 — CID 3029829

IUPAC(3-amino-4-hydroxyphenyl)-chloroarsinous acid
SMILESNc1cc([As](O)Cl)ccc1O
InChIInChI=1S/C6H7AsClNO2/c8-7(11)4-1-2-6(10)5(9)3-4/h1-3,10-11H,9H2
InChIKeyGNLTTZRDECVISA-UHFFFAOYSA-N
MW235.50 g/mol
LogP-0.10
Rot. Bonds1

About (3-amino-4-hydroxyphenyl)-chloroarsinous acid

(3-amino-4-hydroxyphenyl)-chloroarsinous acid (PubChem CID 3029829) has the molecular formula C6H7AsClNO2 and a molecular weight of 235.50 g/mol. Its IUPAC name is (3-amino-4-hydroxyphenyl)-chloroarsinous acid.

Molecular Properties

Compound Name(3-amino-4-hydroxyphenyl)-chloroarsinous acid
PubChem CID3029829
Molecular FormulaC6H7AsClNO2
Molecular Weight235.50 g/mol
Exact Mass234.94
IUPAC Name(3-amino-4-hydroxyphenyl)-chloroarsinous acid
SMILESNc1cc([As](O)Cl)ccc1O
InChIInChI=1S/C6H7AsClNO2/c8-7(11)4-1-2-6(10)5(9)3-4/h1-3,10-11H,9H2
InChIKeyGNLTTZRDECVISA-UHFFFAOYSA-N
XLogP-0.10
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.50
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
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 (3-amino-4-hydroxyphenyl)-chloroarsinous acid?
The IUPAC name of (3-amino-4-hydroxyphenyl)-chloroarsinous acid (CID 3029829) is (3-amino-4-hydroxyphenyl)-chloroarsinous acid.
What is the SMILES notation for (3-amino-4-hydroxyphenyl)-chloroarsinous acid?
The canonical SMILES for (3-amino-4-hydroxyphenyl)-chloroarsinous acid is Nc1cc([As](O)Cl)ccc1O.
What is the InChIKey of (3-amino-4-hydroxyphenyl)-chloroarsinous acid?
The InChIKey is GNLTTZRDECVISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7AsClNO2/c8-7(11)4-1-2-6(10)5(9)3-4/h1-3,10-11H,9H2.
What are the key properties of (3-amino-4-hydroxyphenyl)-chloroarsinous acid?
(3-amino-4-hydroxyphenyl)-chloroarsinous acid has a molecular weight of 235.50 g/mol, XLogP of -0.10, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-hydroxyphenyl)-chloroarsinous acid is sourced from PubChem (CID 3029829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).