O-[(2,3-dichlorophenyl)methyl]hydroxylamine;hydrochloride

C7H8Cl3NO — CID 18525980

IUPACO-[(2,3-dichlorophenyl)methyl]hydroxylamine;hydrochloride
SMILESCl.NOCc1cccc(Cl)c1Cl
InChIInChI=1S/C7H7Cl2NO.ClH/c8-6-3-1-2-5(4-11-10)7(6)9;/h1-3H,4,10H2;1H
InChIKeyFKYFOAXXDATSHM-UHFFFAOYSA-N
MW228.51 g/mol
LogP2.81
Rot. Bonds2

About O-[(2,3-dichlorophenyl)methyl]hydroxylamine;hydrochloride

O-[(2,3-dichlorophenyl)methyl]hydroxylamine;hydrochloride (PubChem CID 18525980) has the molecular formula C7H8Cl3NO and a molecular weight of 228.51 g/mol. Its IUPAC name is O-[(2,3-dichlorophenyl)methyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[(2,3-dichlorophenyl)methyl]hydroxylamine;hydrochloride
PubChem CID18525980
Molecular FormulaC7H8Cl3NO
Molecular Weight228.51 g/mol
Exact Mass226.97
IUPAC NameO-[(2,3-dichlorophenyl)methyl]hydroxylamine;hydrochloride
SMILESCl.NOCc1cccc(Cl)c1Cl
InChIInChI=1S/C7H7Cl2NO.ClH/c8-6-3-1-2-5(4-11-10)7(6)9;/h1-3H,4,10H2;1H
InChIKeyFKYFOAXXDATSHM-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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Related Compounds

Hydroxylamine, O-((3-chlorophenyl)methyl)-, hydrochloride (1:1)
CID 207299
Hydroxylamine, O-((4-chlorophenyl)methyl)-, hydrochloride (1:1)
CID 217573
(2,3-Dichlorophenyl)methanol
CID 228603
O-((3-chlorophenyl)methyl)hydroxylamine
CID 207300
3,4-Dichlorobenzyl alcohol
CID 15728
O-(2,4-Dichlorobenzyl)hydroxylamine hydrochloride
CID 2764014
O-(2-Chlorobenzyl)hydroxylamine hydrochloride
CID 19974989
1-[(Ammoniooxy)methyl]-3,5-dichlorobenzene chloride
CID 67132184
O-[(2-chloro-4-iodophenyl)methyl]hydroxylamine;hydrochloride
CID 127038190
O-(3,4-Dichlorobenzyl)hydroxylamine hydrochloride
CID 21683122
O-[(4-chlorophenyl)methyl]hydroxylamine
CID 217574
2-(2,3-Dichlorophenyl)ethan-1-ol
CID 2734759

Frequently Asked Questions

What is the IUPAC name of O-[(2,3-dichlorophenyl)methyl]hydroxylamine;hydrochloride?
The IUPAC name of O-[(2,3-dichlorophenyl)methyl]hydroxylamine;hydrochloride (CID 18525980) is O-[(2,3-dichlorophenyl)methyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[(2,3-dichlorophenyl)methyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[(2,3-dichlorophenyl)methyl]hydroxylamine;hydrochloride is Cl.NOCc1cccc(Cl)c1Cl.
What is the InChIKey of O-[(2,3-dichlorophenyl)methyl]hydroxylamine;hydrochloride?
The InChIKey is FKYFOAXXDATSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO.ClH/c8-6-3-1-2-5(4-11-10)7(6)9;/h1-3H,4,10H2;1H.
What are the key properties of O-[(2,3-dichlorophenyl)methyl]hydroxylamine;hydrochloride?
O-[(2,3-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-[(2,3-dichlorophenyl)methyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 18525980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).