O-(3,5-dichlorophenyl)hydroxylamine

C6H5Cl2NO — CID 11736040

IUPACO-(3,5-dichlorophenyl)hydroxylamine
SMILESNOc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C6H5Cl2NO/c7-4-1-5(8)3-6(2-4)10-9/h1-3H,9H2
InChIKeyPCSYDOORDVYWPI-UHFFFAOYSA-N
MW178.02 g/mol
LogP2.25
Rot. Bonds1

About O-(3,5-dichlorophenyl)hydroxylamine

O-(3,5-dichlorophenyl)hydroxylamine (PubChem CID 11736040) has the molecular formula C6H5Cl2NO and a molecular weight of 178.02 g/mol. Its IUPAC name is O-(3,5-dichlorophenyl)hydroxylamine.

Molecular Properties

Compound NameO-(3,5-dichlorophenyl)hydroxylamine
PubChem CID11736040
Molecular FormulaC6H5Cl2NO
Molecular Weight178.02 g/mol
Exact Mass176.97
IUPAC NameO-(3,5-dichlorophenyl)hydroxylamine
SMILESNOc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C6H5Cl2NO/c7-4-1-5(8)3-6(2-4)10-9/h1-3H,9H2
InChIKeyPCSYDOORDVYWPI-UHFFFAOYSA-N
XLogP2.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.02
LogP ≤ 52.25
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-(3,5-dichlorophenyl)hydroxylamine?
The IUPAC name of O-(3,5-dichlorophenyl)hydroxylamine (CID 11736040) is O-(3,5-dichlorophenyl)hydroxylamine.
What is the SMILES notation for O-(3,5-dichlorophenyl)hydroxylamine?
The canonical SMILES for O-(3,5-dichlorophenyl)hydroxylamine is NOc1cc(Cl)cc(Cl)c1.
What is the InChIKey of O-(3,5-dichlorophenyl)hydroxylamine?
The InChIKey is PCSYDOORDVYWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO/c7-4-1-5(8)3-6(2-4)10-9/h1-3H,9H2.
What are the key properties of O-(3,5-dichlorophenyl)hydroxylamine?
O-(3,5-dichlorophenyl)hydroxylamine has a molecular weight of 178.02 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(3,5-dichlorophenyl)hydroxylamine is sourced from PubChem (CID 11736040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).