O-[(2-bromophenyl)methyl]hydroxylamine;hydrochloride

C7H9BrClNO — CID 18525978

IUPACO-[(2-bromophenyl)methyl]hydroxylamine;hydrochloride
SMILESCl.NOCc1ccccc1Br
InChIInChI=1S/C7H8BrNO.ClH/c8-7-4-2-1-3-6(7)5-10-9;/h1-4H,5,9H2;1H
InChIKeyVSJRPFMUCUWQIF-UHFFFAOYSA-N
MW238.51 g/mol
LogP2.26
Rot. Bonds2

About O-[(2-bromophenyl)methyl]hydroxylamine;hydrochloride

O-[(2-bromophenyl)methyl]hydroxylamine;hydrochloride (PubChem CID 18525978) has the molecular formula C7H9BrClNO and a molecular weight of 238.51 g/mol. Its IUPAC name is O-[(2-bromophenyl)methyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[(2-bromophenyl)methyl]hydroxylamine;hydrochloride
PubChem CID18525978
Molecular FormulaC7H9BrClNO
Molecular Weight238.51 g/mol
Exact Mass236.96
IUPAC NameO-[(2-bromophenyl)methyl]hydroxylamine;hydrochloride
SMILESCl.NOCc1ccccc1Br
InChIInChI=1S/C7H8BrNO.ClH/c8-7-4-2-1-3-6(7)5-10-9;/h1-4H,5,9H2;1H
InChIKeyVSJRPFMUCUWQIF-UHFFFAOYSA-N
XLogP2.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.51
LogP ≤ 52.26
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

Benzyloxyamine hydrochloride
CID 102312
O-Benzylhydroxylamine
CID 102313
2-Bromobenzyl alcohol
CID 72850
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CID 2773347
O-(3-Bromobenzyl)hydroxylamine hydrochloride
CID 17750145
O-((3-Bromophenyl)(phenyl)methyl)hydroxylamine hydrochloride
CID 155540952
1-Bromo-2-(methoxymethyl)benzene
CID 12927162
O-(4-Bromobenzyl)hydroxylamine hydrochloride
CID 67132131
1-Bromo-4-fluoro-2-(methoxymethyl)benzene
CID 2769414
2-Bromo-5-fluorobenzyl alcohol
CID 2773349
2-Bromophenethyl methyl ether
CID 5151997
2-Bromo-6-fluorobenzyl alcohol
CID 44181801

Frequently Asked Questions

What is the IUPAC name of O-[(2-bromophenyl)methyl]hydroxylamine;hydrochloride?
The IUPAC name of O-[(2-bromophenyl)methyl]hydroxylamine;hydrochloride (CID 18525978) is O-[(2-bromophenyl)methyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[(2-bromophenyl)methyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[(2-bromophenyl)methyl]hydroxylamine;hydrochloride is Cl.NOCc1ccccc1Br.
What is the InChIKey of O-[(2-bromophenyl)methyl]hydroxylamine;hydrochloride?
The InChIKey is VSJRPFMUCUWQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO.ClH/c8-7-4-2-1-3-6(7)5-10-9;/h1-4H,5,9H2;1H.
What are the key properties of O-[(2-bromophenyl)methyl]hydroxylamine;hydrochloride?
O-[(2-bromophenyl)methyl]hydroxylamine;hydrochloride has a molecular weight of 238.51 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2-bromophenyl)methyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 18525978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).