(2E)-1-(2-bromophenyl)-2-hydroxyiminoethanone

C8H6BrNO2 — CID 87742582

IUPAC(2E)-1-(2-bromophenyl)-2-hydroxyiminoethanone
SMILESO=C(/C=N/O)c1ccccc1Br
InChIInChI=1S/C8H6BrNO2/c9-7-4-2-1-3-6(7)8(11)5-10-12/h1-5,12H/b10-5+
InChIKeyYRUDEXOYOJEORP-BJMVGYQFSA-N
MW228.05 g/mol
LogP2.09
Rot. Bonds2

About (2E)-1-(2-bromophenyl)-2-hydroxyiminoethanone

(2E)-1-(2-bromophenyl)-2-hydroxyiminoethanone (PubChem CID 87742582) has the molecular formula C8H6BrNO2 and a molecular weight of 228.05 g/mol. Its IUPAC name is (2E)-1-(2-bromophenyl)-2-hydroxyiminoethanone.

Molecular Properties

Compound Name(2E)-1-(2-bromophenyl)-2-hydroxyiminoethanone
PubChem CID87742582
Molecular FormulaC8H6BrNO2
Molecular Weight228.05 g/mol
Exact Mass226.96
IUPAC Name(2E)-1-(2-bromophenyl)-2-hydroxyiminoethanone
SMILESO=C(/C=N/O)c1ccccc1Br
InChIInChI=1S/C8H6BrNO2/c9-7-4-2-1-3-6(7)8(11)5-10-12/h1-5,12H/b10-5+
InChIKeyYRUDEXOYOJEORP-BJMVGYQFSA-N
XLogP2.09
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.05
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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2-(2-bromophenyl)-2-oxoacetic acid
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2-bromo-1-(2-bromophenyl)ethanone
CID 2737522
(2Z)-1-(3-bromophenyl)-2-hydroxyiminoethanone
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3-bromo-2-[(E)-hydroxyiminomethyl]benzoic acid
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1-(2-bromophenyl)-2,2-dihydroxyethanone
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Frequently Asked Questions

What is the IUPAC name of (2E)-1-(2-bromophenyl)-2-hydroxyiminoethanone?
The IUPAC name of (2E)-1-(2-bromophenyl)-2-hydroxyiminoethanone (CID 87742582) is (2E)-1-(2-bromophenyl)-2-hydroxyiminoethanone.
What is the SMILES notation for (2E)-1-(2-bromophenyl)-2-hydroxyiminoethanone?
The canonical SMILES for (2E)-1-(2-bromophenyl)-2-hydroxyiminoethanone is O=C(/C=N/O)c1ccccc1Br.
What is the InChIKey of (2E)-1-(2-bromophenyl)-2-hydroxyiminoethanone?
The InChIKey is YRUDEXOYOJEORP-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H6BrNO2/c9-7-4-2-1-3-6(7)8(11)5-10-12/h1-5,12H/b10-5+.
What are the key properties of (2E)-1-(2-bromophenyl)-2-hydroxyiminoethanone?
(2E)-1-(2-bromophenyl)-2-hydroxyiminoethanone has a molecular weight of 228.05 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(2-bromophenyl)-2-hydroxyiminoethanone is sourced from PubChem (CID 87742582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).