O-[(3,5-dichlorophenyl)methyl]hydroxylamine;hydrochloride

C7H8Cl3NO — CID 67132184

IUPACO-[(3,5-dichlorophenyl)methyl]hydroxylamine;hydrochloride
SMILESCl.NOCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C7H7Cl2NO.ClH/c8-6-1-5(4-11-10)2-7(9)3-6;/h1-3H,4,10H2;1H
InChIKeyZGILFNPTGQUSFW-UHFFFAOYSA-N
MW228.51 g/mol
LogP2.81
Rot. Bonds2

About O-[(3,5-dichlorophenyl)methyl]hydroxylamine;hydrochloride

O-[(3,5-dichlorophenyl)methyl]hydroxylamine;hydrochloride (PubChem CID 67132184) has the molecular formula C7H8Cl3NO and a molecular weight of 228.51 g/mol. Its IUPAC name is O-[(3,5-dichlorophenyl)methyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[(3,5-dichlorophenyl)methyl]hydroxylamine;hydrochloride
PubChem CID67132184
Molecular FormulaC7H8Cl3NO
Molecular Weight228.51 g/mol
Exact Mass226.97
IUPAC NameO-[(3,5-dichlorophenyl)methyl]hydroxylamine;hydrochloride
SMILESCl.NOCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C7H7Cl2NO.ClH/c8-6-1-5(4-11-10)2-7(9)3-6;/h1-3H,4,10H2;1H
InChIKeyZGILFNPTGQUSFW-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.51
LogP ≤ 52.81
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)methyl]hydroxylamine;hydrochloride?
The IUPAC name of O-[(3,5-dichlorophenyl)methyl]hydroxylamine;hydrochloride (CID 67132184) is O-[(3,5-dichlorophenyl)methyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[(3,5-dichlorophenyl)methyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[(3,5-dichlorophenyl)methyl]hydroxylamine;hydrochloride is Cl.NOCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of O-[(3,5-dichlorophenyl)methyl]hydroxylamine;hydrochloride?
The InChIKey is ZGILFNPTGQUSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO.ClH/c8-6-1-5(4-11-10)2-7(9)3-6;/h1-3H,4,10H2;1H.
What are the key properties of O-[(3,5-dichlorophenyl)methyl]hydroxylamine;hydrochloride?
O-[(3,5-dichlorophenyl)methyl]hydroxylamine;hydrochloride has a molecular weight of 228.51 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3,5-dichlorophenyl)methyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 67132184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).