O-[(2-chloro-4-iodophenyl)methyl]hydroxylamine;hydrochloride

C7H8Cl2INO — CID 127038190

IUPACO-[(2-chloro-4-iodophenyl)methyl]hydroxylamine;hydrochloride
SMILESCl.NOCc1ccc(I)cc1Cl
InChIInChI=1S/C7H7ClINO.ClH/c8-7-3-6(9)2-1-5(7)4-11-10;/h1-3H,4,10H2;1H
InChIKeyMCMASDLALAYNQB-UHFFFAOYSA-N
MW319.96 g/mol
LogP2.76
Rot. Bonds2

About O-[(2-chloro-4-iodophenyl)methyl]hydroxylamine;hydrochloride

O-[(2-chloro-4-iodophenyl)methyl]hydroxylamine;hydrochloride (PubChem CID 127038190) has the molecular formula C7H8Cl2INO and a molecular weight of 319.96 g/mol. Its IUPAC name is O-[(2-chloro-4-iodophenyl)methyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[(2-chloro-4-iodophenyl)methyl]hydroxylamine;hydrochloride
PubChem CID127038190
Molecular FormulaC7H8Cl2INO
Molecular Weight319.96 g/mol
Exact Mass318.90
IUPAC NameO-[(2-chloro-4-iodophenyl)methyl]hydroxylamine;hydrochloride
SMILESCl.NOCc1ccc(I)cc1Cl
InChIInChI=1S/C7H7ClINO.ClH/c8-7-3-6(9)2-1-5(7)4-11-10;/h1-3H,4,10H2;1H
InChIKeyMCMASDLALAYNQB-UHFFFAOYSA-N
XLogP2.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.96
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-[(2-chloro-4-iodophenyl)methyl]hydroxylamine;hydrochloride?
The IUPAC name of O-[(2-chloro-4-iodophenyl)methyl]hydroxylamine;hydrochloride (CID 127038190) is O-[(2-chloro-4-iodophenyl)methyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[(2-chloro-4-iodophenyl)methyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[(2-chloro-4-iodophenyl)methyl]hydroxylamine;hydrochloride is Cl.NOCc1ccc(I)cc1Cl.
What is the InChIKey of O-[(2-chloro-4-iodophenyl)methyl]hydroxylamine;hydrochloride?
The InChIKey is MCMASDLALAYNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClINO.ClH/c8-7-3-6(9)2-1-5(7)4-11-10;/h1-3H,4,10H2;1H.
What are the key properties of O-[(2-chloro-4-iodophenyl)methyl]hydroxylamine;hydrochloride?
O-[(2-chloro-4-iodophenyl)methyl]hydroxylamine;hydrochloride has a molecular weight of 319.96 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2-chloro-4-iodophenyl)methyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 127038190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).