2-amino-4-dibromoarsanylphenol;hydrobromide

C6H7AsBr3NO — CID 3029830

IUPAC2-amino-4-dibromoarsanylphenol;hydrobromide
SMILESBr.Nc1cc([As](Br)Br)ccc1O
InChIInChI=1S/C6H6AsBr2NO.BrH/c8-7(9)4-1-2-6(11)5(10)3-4;/h1-3,11H,10H2;1H
InChIKeyUPISZLBYXRXFNU-UHFFFAOYSA-N
MW423.76 g/mol
LogP2.04
Rot. Bonds1

About 2-amino-4-dibromoarsanylphenol;hydrobromide

2-amino-4-dibromoarsanylphenol;hydrobromide (PubChem CID 3029830) has the molecular formula C6H7AsBr3NO and a molecular weight of 423.76 g/mol. Its IUPAC name is 2-amino-4-dibromoarsanylphenol;hydrobromide.

Molecular Properties

Compound Name2-amino-4-dibromoarsanylphenol;hydrobromide
PubChem CID3029830
Molecular FormulaC6H7AsBr3NO
Molecular Weight423.76 g/mol
Exact Mass420.73
IUPAC Name2-amino-4-dibromoarsanylphenol;hydrobromide
SMILESBr.Nc1cc([As](Br)Br)ccc1O
InChIInChI=1S/C6H6AsBr2NO.BrH/c8-7(9)4-1-2-6(11)5(10)3-4;/h1-3,11H,10H2;1H
InChIKeyUPISZLBYXRXFNU-UHFFFAOYSA-N
XLogP2.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.76
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-dibromoarsanylphenol;hydrobromide?
The IUPAC name of 2-amino-4-dibromoarsanylphenol;hydrobromide (CID 3029830) is 2-amino-4-dibromoarsanylphenol;hydrobromide.
What is the SMILES notation for 2-amino-4-dibromoarsanylphenol;hydrobromide?
The canonical SMILES for 2-amino-4-dibromoarsanylphenol;hydrobromide is Br.Nc1cc([As](Br)Br)ccc1O.
What is the InChIKey of 2-amino-4-dibromoarsanylphenol;hydrobromide?
The InChIKey is UPISZLBYXRXFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6AsBr2NO.BrH/c8-7(9)4-1-2-6(11)5(10)3-4;/h1-3,11H,10H2;1H.
What are the key properties of 2-amino-4-dibromoarsanylphenol;hydrobromide?
2-amino-4-dibromoarsanylphenol;hydrobromide has a molecular weight of 423.76 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-dibromoarsanylphenol;hydrobromide is sourced from PubChem (CID 3029830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).