2-bromo-4-nitrosophenol

C6H4BrNO2 — CID 23270210

IUPAC2-bromo-4-nitrosophenol
SMILESO=Nc1ccc(O)c(Br)c1
InChIInChI=1S/C6H4BrNO2/c7-5-3-4(8-10)1-2-6(5)9/h1-3,9H
InChIKeyLRLQKLHZZOVGSF-UHFFFAOYSA-N
MW202.01 g/mol
LogP2.55
Rot. Bonds1

About 2-bromo-4-nitrosophenol

2-bromo-4-nitrosophenol (PubChem CID 23270210) has the molecular formula C6H4BrNO2 and a molecular weight of 202.01 g/mol. Its IUPAC name is 2-bromo-4-nitrosophenol.

Molecular Properties

Compound Name2-bromo-4-nitrosophenol
PubChem CID23270210
Molecular FormulaC6H4BrNO2
Molecular Weight202.01 g/mol
Exact Mass200.94
IUPAC Name2-bromo-4-nitrosophenol
SMILESO=Nc1ccc(O)c(Br)c1
InChIInChI=1S/C6H4BrNO2/c7-5-3-4(8-10)1-2-6(5)9/h1-3,9H
InChIKeyLRLQKLHZZOVGSF-UHFFFAOYSA-N
XLogP2.55
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.01
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-nitrosophenol?
The IUPAC name of 2-bromo-4-nitrosophenol (CID 23270210) is 2-bromo-4-nitrosophenol.
What is the SMILES notation for 2-bromo-4-nitrosophenol?
The canonical SMILES for 2-bromo-4-nitrosophenol is O=Nc1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-nitrosophenol?
The InChIKey is LRLQKLHZZOVGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrNO2/c7-5-3-4(8-10)1-2-6(5)9/h1-3,9H.
What are the key properties of 2-bromo-4-nitrosophenol?
2-bromo-4-nitrosophenol has a molecular weight of 202.01 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-nitrosophenol is sourced from PubChem (CID 23270210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).