N-[(2-chlorophenyl)methyl]hydroxylamine;hydrochloride

C7H9Cl2NO — CID 53438344

IUPACN-[(2-chlorophenyl)methyl]hydroxylamine;hydrochloride
SMILESCl.ONCc1ccccc1Cl
InChIInChI=1S/C7H8ClNO.ClH/c8-7-4-2-1-3-6(7)5-9-10;/h1-4,9-10H,5H2;1H
InChIKeyFAJVZKCJJGIFBU-UHFFFAOYSA-N
MW194.06 g/mol
LogP2.24
Rot. Bonds2

About N-[(2-chlorophenyl)methyl]hydroxylamine;hydrochloride

N-[(2-chlorophenyl)methyl]hydroxylamine;hydrochloride (PubChem CID 53438344) has the molecular formula C7H9Cl2NO and a molecular weight of 194.06 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]hydroxylamine;hydrochloride
PubChem CID53438344
Molecular FormulaC7H9Cl2NO
Molecular Weight194.06 g/mol
Exact Mass193.01
IUPAC NameN-[(2-chlorophenyl)methyl]hydroxylamine;hydrochloride
SMILESCl.ONCc1ccccc1Cl
InChIInChI=1S/C7H8ClNO.ClH/c8-7-4-2-1-3-6(7)5-9-10;/h1-4,9-10H,5H2;1H
InChIKeyFAJVZKCJJGIFBU-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.06
LogP ≤ 52.24
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-chlorophenyl)methyl]hydroxylamine;hydrochloride?
The IUPAC name of N-[(2-chlorophenyl)methyl]hydroxylamine;hydrochloride (CID 53438344) is N-[(2-chlorophenyl)methyl]hydroxylamine;hydrochloride.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]hydroxylamine;hydrochloride?
The canonical SMILES for N-[(2-chlorophenyl)methyl]hydroxylamine;hydrochloride is Cl.ONCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]hydroxylamine;hydrochloride?
The InChIKey is FAJVZKCJJGIFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO.ClH/c8-7-4-2-1-3-6(7)5-9-10;/h1-4,9-10H,5H2;1H.
What are the key properties of N-[(2-chlorophenyl)methyl]hydroxylamine;hydrochloride?
N-[(2-chlorophenyl)methyl]hydroxylamine;hydrochloride has a molecular weight of 194.06 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 53438344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).