O-[(4-bromophenyl)methyl]hydroxylamine

C7H8BrNO — CID 11356134

IUPACO-[(4-bromophenyl)methyl]hydroxylamine
SMILESNOCc1ccc(Br)cc1
InChIInChI=1S/C7H8BrNO/c8-7-3-1-6(2-4-7)5-10-9/h1-4H,5,9H2
InChIKeyYTBXSBIQXOHSRA-UHFFFAOYSA-N
MW202.05 g/mol
LogP1.84
Rot. Bonds2

About O-[(4-bromophenyl)methyl]hydroxylamine

O-[(4-bromophenyl)methyl]hydroxylamine (PubChem CID 11356134) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is O-[(4-bromophenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(4-bromophenyl)methyl]hydroxylamine
PubChem CID11356134
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC NameO-[(4-bromophenyl)methyl]hydroxylamine
SMILESNOCc1ccc(Br)cc1
InChIInChI=1S/C7H8BrNO/c8-7-3-1-6(2-4-7)5-10-9/h1-4H,5,9H2
InChIKeyYTBXSBIQXOHSRA-UHFFFAOYSA-N
XLogP1.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 51.84
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)methyl]hydroxylamine?
The IUPAC name of O-[(4-bromophenyl)methyl]hydroxylamine (CID 11356134) is O-[(4-bromophenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(4-bromophenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(4-bromophenyl)methyl]hydroxylamine is NOCc1ccc(Br)cc1.
What is the InChIKey of O-[(4-bromophenyl)methyl]hydroxylamine?
The InChIKey is YTBXSBIQXOHSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c8-7-3-1-6(2-4-7)5-10-9/h1-4H,5,9H2.
What are the key properties of O-[(4-bromophenyl)methyl]hydroxylamine?
O-[(4-bromophenyl)methyl]hydroxylamine has a molecular weight of 202.05 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(4-bromophenyl)methyl]hydroxylamine is sourced from PubChem (CID 11356134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).