(2-aminophenyl)methyl hypobromite

C7H8BrNO — CID 57255026

IUPAC(2-aminophenyl)methyl hypobromite
SMILESNc1ccccc1COBr
InChIInChI=1S/C7H8BrNO/c8-10-5-6-3-1-2-4-7(6)9/h1-4H,5,9H2
InChIKeyORJRLYIQMOCYJH-UHFFFAOYSA-N
MW202.05 g/mol
LogP2.10
Rot. Bonds2

About (2-aminophenyl)methyl hypobromite

(2-aminophenyl)methyl hypobromite (PubChem CID 57255026) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is (2-aminophenyl)methyl hypobromite.

Molecular Properties

Compound Name(2-aminophenyl)methyl hypobromite
PubChem CID57255026
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name(2-aminophenyl)methyl hypobromite
SMILESNc1ccccc1COBr
InChIInChI=1S/C7H8BrNO/c8-10-5-6-3-1-2-4-7(6)9/h1-4H,5,9H2
InChIKeyORJRLYIQMOCYJH-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)methyl hypobromite?
The IUPAC name of (2-aminophenyl)methyl hypobromite (CID 57255026) is (2-aminophenyl)methyl hypobromite.
What is the SMILES notation for (2-aminophenyl)methyl hypobromite?
The canonical SMILES for (2-aminophenyl)methyl hypobromite is Nc1ccccc1COBr.
What is the InChIKey of (2-aminophenyl)methyl hypobromite?
The InChIKey is ORJRLYIQMOCYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c8-10-5-6-3-1-2-4-7(6)9/h1-4H,5,9H2.
What are the key properties of (2-aminophenyl)methyl hypobromite?
(2-aminophenyl)methyl hypobromite has a molecular weight of 202.05 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)methyl hypobromite is sourced from PubChem (CID 57255026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).