O-[(4-bromophenyl)methyl]hydroxylamine;hydrochloride

C7H9BrClNO — CID 67132131

IUPACO-[(4-bromophenyl)methyl]hydroxylamine;hydrochloride
SMILESCl.NOCc1ccc(Br)cc1
InChIInChI=1S/C7H8BrNO.ClH/c8-7-3-1-6(2-4-7)5-10-9;/h1-4H,5,9H2;1H
InChIKeyCAXHZLQANSFMEJ-UHFFFAOYSA-N
MW238.51 g/mol
LogP2.26
Rot. Bonds2

About O-[(4-bromophenyl)methyl]hydroxylamine;hydrochloride

O-[(4-bromophenyl)methyl]hydroxylamine;hydrochloride (PubChem CID 67132131) has the molecular formula C7H9BrClNO and a molecular weight of 238.51 g/mol. Its IUPAC name is O-[(4-bromophenyl)methyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[(4-bromophenyl)methyl]hydroxylamine;hydrochloride
PubChem CID67132131
Molecular FormulaC7H9BrClNO
Molecular Weight238.51 g/mol
Exact Mass236.96
IUPAC NameO-[(4-bromophenyl)methyl]hydroxylamine;hydrochloride
SMILESCl.NOCc1ccc(Br)cc1
InChIInChI=1S/C7H8BrNO.ClH/c8-7-3-1-6(2-4-7)5-10-9;/h1-4H,5,9H2;1H
InChIKeyCAXHZLQANSFMEJ-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

4-Bromobenzyl alcohol
CID 70119
Benzyloxyamine hydrochloride
CID 102312
O-Benzylhydroxylamine
CID 102313
O-(3-Bromobenzyl)hydroxylamine hydrochloride
CID 17750145
O-((3-Bromophenyl)(phenyl)methyl)hydroxylamine hydrochloride
CID 155540952
(4-Bromobenzyloxy)trimethylsilane
CID 598201
1-Bromo-4-(1-methoxyethyl)benzene
CID 10965890
4-Bromobenzyl methyl ether
CID 12662296
1-Bromo-4-(2-methoxyethyl)benzene
CID 21995717
1-((Benzyloxy)methyl)-4-bromobenzene
CID 11254408
O-(2-Bromobenzyl)hydroxylamine hydrochloride
CID 18525978
1-Bromo-4-(ethoxymethyl)benzene
CID 598187

Frequently Asked Questions

What is the IUPAC name of O-[(4-bromophenyl)methyl]hydroxylamine;hydrochloride?
The IUPAC name of O-[(4-bromophenyl)methyl]hydroxylamine;hydrochloride (CID 67132131) is O-[(4-bromophenyl)methyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[(4-bromophenyl)methyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[(4-bromophenyl)methyl]hydroxylamine;hydrochloride is Cl.NOCc1ccc(Br)cc1.
What is the InChIKey of O-[(4-bromophenyl)methyl]hydroxylamine;hydrochloride?
The InChIKey is CAXHZLQANSFMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO.ClH/c8-7-3-1-6(2-4-7)5-10-9;/h1-4H,5,9H2;1H.
What are the key properties of O-[(4-bromophenyl)methyl]hydroxylamine;hydrochloride?
O-[(4-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-[(4-bromophenyl)methyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 67132131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).