N-[(2,4-dichlorophenyl)methyl]hydroxylamine;hydrochloride

C7H8Cl3NO — CID 53441010

IUPACN-[(2,4-dichlorophenyl)methyl]hydroxylamine;hydrochloride
SMILESCl.ONCc1ccc(Cl)cc1Cl
InChIInChI=1S/C7H7Cl2NO.ClH/c8-6-2-1-5(4-10-11)7(9)3-6;/h1-3,10-11H,4H2;1H
InChIKeyRYKQXFMRIUYEHT-UHFFFAOYSA-N
MW228.51 g/mol
LogP2.89
Rot. Bonds2

About N-[(2,4-dichlorophenyl)methyl]hydroxylamine;hydrochloride

N-[(2,4-dichlorophenyl)methyl]hydroxylamine;hydrochloride (PubChem CID 53441010) has the molecular formula C7H8Cl3NO and a molecular weight of 228.51 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]hydroxylamine;hydrochloride
PubChem CID53441010
Molecular FormulaC7H8Cl3NO
Molecular Weight228.51 g/mol
Exact Mass226.97
IUPAC NameN-[(2,4-dichlorophenyl)methyl]hydroxylamine;hydrochloride
SMILESCl.ONCc1ccc(Cl)cc1Cl
InChIInChI=1S/C7H7Cl2NO.ClH/c8-6-2-1-5(4-10-11)7(9)3-6;/h1-3,10-11H,4H2;1H
InChIKeyRYKQXFMRIUYEHT-UHFFFAOYSA-N
XLogP2.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.51
LogP ≤ 52.89
H-Bond Donors ≤ 52
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 N-[(2,4-dichlorophenyl)methyl]hydroxylamine;hydrochloride?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]hydroxylamine;hydrochloride (CID 53441010) is N-[(2,4-dichlorophenyl)methyl]hydroxylamine;hydrochloride.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]hydroxylamine;hydrochloride?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]hydroxylamine;hydrochloride is Cl.ONCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]hydroxylamine;hydrochloride?
The InChIKey is RYKQXFMRIUYEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO.ClH/c8-6-2-1-5(4-10-11)7(9)3-6;/h1-3,10-11H,4H2;1H.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]hydroxylamine;hydrochloride?
N-[(2,4-dichlorophenyl)methyl]hydroxylamine;hydrochloride has a molecular weight of 228.51 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 53441010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).