O-(2-bromo-4-chloro-5-fluorophenyl)hydroxylamine

C6H4BrClFNO — CID 130500380

IUPACO-(2-bromo-4-chloro-5-fluorophenyl)hydroxylamine
SMILESNOc1cc(F)c(Cl)cc1Br
InChIInChI=1S/C6H4BrClFNO/c7-3-1-4(8)5(9)2-6(3)11-10/h1-2H,10H2
InChIKeyBGECOSSODLCGTK-UHFFFAOYSA-N
MW240.46 g/mol
LogP2.49
Rot. Bonds1

About O-(2-bromo-4-chloro-5-fluorophenyl)hydroxylamine

O-(2-bromo-4-chloro-5-fluorophenyl)hydroxylamine (PubChem CID 130500380) has the molecular formula C6H4BrClFNO and a molecular weight of 240.46 g/mol. Its IUPAC name is O-(2-bromo-4-chloro-5-fluorophenyl)hydroxylamine.

Molecular Properties

Compound NameO-(2-bromo-4-chloro-5-fluorophenyl)hydroxylamine
PubChem CID130500380
Molecular FormulaC6H4BrClFNO
Molecular Weight240.46 g/mol
Exact Mass238.91
IUPAC NameO-(2-bromo-4-chloro-5-fluorophenyl)hydroxylamine
SMILESNOc1cc(F)c(Cl)cc1Br
InChIInChI=1S/C6H4BrClFNO/c7-3-1-4(8)5(9)2-6(3)11-10/h1-2H,10H2
InChIKeyBGECOSSODLCGTK-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-(2-bromo-4-chloro-5-fluorophenyl)hydroxylamine?
The IUPAC name of O-(2-bromo-4-chloro-5-fluorophenyl)hydroxylamine (CID 130500380) is O-(2-bromo-4-chloro-5-fluorophenyl)hydroxylamine.
What is the SMILES notation for O-(2-bromo-4-chloro-5-fluorophenyl)hydroxylamine?
The canonical SMILES for O-(2-bromo-4-chloro-5-fluorophenyl)hydroxylamine is NOc1cc(F)c(Cl)cc1Br.
What is the InChIKey of O-(2-bromo-4-chloro-5-fluorophenyl)hydroxylamine?
The InChIKey is BGECOSSODLCGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClFNO/c7-3-1-4(8)5(9)2-6(3)11-10/h1-2H,10H2.
What are the key properties of O-(2-bromo-4-chloro-5-fluorophenyl)hydroxylamine?
O-(2-bromo-4-chloro-5-fluorophenyl)hydroxylamine has a molecular weight of 240.46 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2-bromo-4-chloro-5-fluorophenyl)hydroxylamine is sourced from PubChem (CID 130500380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).