2-amino-4-arsorosophenol

C6H6AsNO2 — CID 10845

💊View drug profile → oxophenarsine
IUPAC2-amino-4-arsorosophenol
SMILESNc1cc([As]=O)ccc1O
InChIInChI=1S/C6H6AsNO2/c8-5-3-4(7-10)1-2-6(5)9/h1-3,9H,8H2
InChIKeyKVGGQNNGLOIZSK-UHFFFAOYSA-N
MW199.04 g/mol
LogP-0.35
Rot. Bonds1

About 2-amino-4-arsorosophenol

2-amino-4-arsorosophenol (PubChem CID 10845) has the molecular formula C6H6AsNO2 and a molecular weight of 199.04 g/mol. Its IUPAC name is 2-amino-4-arsorosophenol.

Molecular Properties

Compound Name2-amino-4-arsorosophenol
PubChem CID10845
Molecular FormulaC6H6AsNO2
Molecular Weight199.04 g/mol
Exact Mass198.96
IUPAC Name2-amino-4-arsorosophenol
SMILESNc1cc([As]=O)ccc1O
InChIInChI=1S/C6H6AsNO2/c8-5-3-4(7-10)1-2-6(5)9/h1-3,9H,8H2
InChIKeyKVGGQNNGLOIZSK-UHFFFAOYSA-N
XLogP-0.35
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.04
LogP ≤ 5-0.35
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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Related Compounds

4-Aminophenol
CID 403
2-Aminophenol
CID 5801
Roxarsone
CID 5104
2-Nitrophenol
CID 6947
2,4-Diaminophenol hydrochloride
CID 8715
4-Aminophenol hydrochloride
CID 5828
2,4-Diaminophenol
CID 7266
2,2'-Azobisphenol
CID 74902
Catecholamine
CID 189460
Arsphenamine
CID 8774
p-ARSANILIC ACID, 2-HYDROXY-
CID 22773
2-Aminoresorcinol
CID 69451

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-arsorosophenol?
The IUPAC name of 2-amino-4-arsorosophenol (CID 10845) is 2-amino-4-arsorosophenol.
What is the SMILES notation for 2-amino-4-arsorosophenol?
The canonical SMILES for 2-amino-4-arsorosophenol is Nc1cc([As]=O)ccc1O.
What is the InChIKey of 2-amino-4-arsorosophenol?
The InChIKey is KVGGQNNGLOIZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6AsNO2/c8-5-3-4(7-10)1-2-6(5)9/h1-3,9H,8H2.
What are the key properties of 2-amino-4-arsorosophenol?
2-amino-4-arsorosophenol has a molecular weight of 199.04 g/mol, XLogP of -0.35, 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 is sourced from PubChem (CID 10845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).