N-[(4-bromophenyl)methyl]hydroxylamine

C7H8BrNO — CID 18789540

IUPACN-[(4-bromophenyl)methyl]hydroxylamine
SMILESONCc1ccc(Br)cc1
InChIInChI=1S/C7H8BrNO/c8-7-3-1-6(2-4-7)5-9-10/h1-4,9-10H,5H2
InChIKeyNBOKTCZENAQVDB-UHFFFAOYSA-N
MW202.05 g/mol
LogP1.93
Rot. Bonds2

About N-[(4-bromophenyl)methyl]hydroxylamine

N-[(4-bromophenyl)methyl]hydroxylamine (PubChem CID 18789540) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]hydroxylamine
PubChem CID18789540
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC NameN-[(4-bromophenyl)methyl]hydroxylamine
SMILESONCc1ccc(Br)cc1
InChIInChI=1S/C7H8BrNO/c8-7-3-1-6(2-4-7)5-9-10/h1-4,9-10H,5H2
InChIKeyNBOKTCZENAQVDB-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 51.93
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-[(4-bromophenyl)methyl]hydroxylamine?
The IUPAC name of N-[(4-bromophenyl)methyl]hydroxylamine (CID 18789540) is N-[(4-bromophenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(4-bromophenyl)methyl]hydroxylamine is ONCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]hydroxylamine?
The InChIKey is NBOKTCZENAQVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c8-7-3-1-6(2-4-7)5-9-10/h1-4,9-10H,5H2.
What are the key properties of N-[(4-bromophenyl)methyl]hydroxylamine?
N-[(4-bromophenyl)methyl]hydroxylamine has a molecular weight of 202.05 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]hydroxylamine is sourced from PubChem (CID 18789540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).