O-(4-bromophenyl)hydroxylamine

C6H6BrNO — CID 11332921

IUPACO-(4-bromophenyl)hydroxylamine
SMILESNOc1ccc(Br)cc1
InChIInChI=1S/C6H6BrNO/c7-5-1-3-6(9-8)4-2-5/h1-4H,8H2
InChIKeyHJMRDUVCXLKHRV-UHFFFAOYSA-N
MW188.02 g/mol
LogP1.70
Rot. Bonds1

About O-(4-bromophenyl)hydroxylamine

O-(4-bromophenyl)hydroxylamine (PubChem CID 11332921) has the molecular formula C6H6BrNO and a molecular weight of 188.02 g/mol. Its IUPAC name is O-(4-bromophenyl)hydroxylamine.

Molecular Properties

Compound NameO-(4-bromophenyl)hydroxylamine
PubChem CID11332921
Molecular FormulaC6H6BrNO
Molecular Weight188.02 g/mol
Exact Mass186.96
IUPAC NameO-(4-bromophenyl)hydroxylamine
SMILESNOc1ccc(Br)cc1
InChIInChI=1S/C6H6BrNO/c7-5-1-3-6(9-8)4-2-5/h1-4H,8H2
InChIKeyHJMRDUVCXLKHRV-UHFFFAOYSA-N
XLogP1.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.02
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-(4-bromophenyl)hydroxylamine?
The IUPAC name of O-(4-bromophenyl)hydroxylamine (CID 11332921) is O-(4-bromophenyl)hydroxylamine.
What is the SMILES notation for O-(4-bromophenyl)hydroxylamine?
The canonical SMILES for O-(4-bromophenyl)hydroxylamine is NOc1ccc(Br)cc1.
What is the InChIKey of O-(4-bromophenyl)hydroxylamine?
The InChIKey is HJMRDUVCXLKHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO/c7-5-1-3-6(9-8)4-2-5/h1-4H,8H2.
What are the key properties of O-(4-bromophenyl)hydroxylamine?
O-(4-bromophenyl)hydroxylamine has a molecular weight of 188.02 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(4-bromophenyl)hydroxylamine is sourced from PubChem (CID 11332921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).