(2Z)-1-(3-bromophenyl)-2-hydroxyiminoethanone

C8H6BrNO2 — CID 125475811

IUPAC(2Z)-1-(3-bromophenyl)-2-hydroxyiminoethanone
SMILESO=C(/C=N\O)c1cccc(Br)c1
InChIInChI=1S/C8H6BrNO2/c9-7-3-1-2-6(4-7)8(11)5-10-12/h1-5,12H/b10-5-
InChIKeyKCDHRZJWCYKGAS-YHYXMXQVSA-N
MW228.05 g/mol
LogP2.09
Rot. Bonds2

About (2Z)-1-(3-bromophenyl)-2-hydroxyiminoethanone

(2Z)-1-(3-bromophenyl)-2-hydroxyiminoethanone (PubChem CID 125475811) has the molecular formula C8H6BrNO2 and a molecular weight of 228.05 g/mol. Its IUPAC name is (2Z)-1-(3-bromophenyl)-2-hydroxyiminoethanone.

Molecular Properties

Compound Name(2Z)-1-(3-bromophenyl)-2-hydroxyiminoethanone
PubChem CID125475811
Molecular FormulaC8H6BrNO2
Molecular Weight228.05 g/mol
Exact Mass226.96
IUPAC Name(2Z)-1-(3-bromophenyl)-2-hydroxyiminoethanone
SMILESO=C(/C=N\O)c1cccc(Br)c1
InChIInChI=1S/C8H6BrNO2/c9-7-3-1-2-6(4-7)8(11)5-10-12/h1-5,12H/b10-5-
InChIKeyKCDHRZJWCYKGAS-YHYXMXQVSA-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

3-bromo-N-[(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]benzamide
CID 135642241
N-[3-[(2E)-2-hydroxyiminoacetyl]phenyl]methanesulfonamide
CID 87742571
(2Z)-N-(3-bromophenyl)-2-hydroxyiminoacetamide
CID 6401110
1-(3-bromophenyl)-3-(3,5-dibromophenyl)prop-2-en-1-one
CID 123139887
1-(3-bromophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 2806204
3-bromo-N-sulfanylidenebenzamide
CID 58039708
1-(3-bromophenyl)-2,2-difluoroethanone
CID 86650253
1-(3-bromophenyl)-5,5-dichloropenta-2,4-dien-1-one
CID 71346907
3-bromobenzoic acid;ethane
CID 143530590
1-(3-bromophenyl)-3-ethoxyprop-2-en-1-one
CID 76951500
1-(3-bromophenyl)-3-pyridin-1-ium-1-ylprop-2-en-1-one chloride
CID 73449206
2,4-bis(3-bromophenyl)-1,5-diphenylpenta-1,4-dien-3-one
CID 156774836

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-(3-bromophenyl)-2-hydroxyiminoethanone?
The IUPAC name of (2Z)-1-(3-bromophenyl)-2-hydroxyiminoethanone (CID 125475811) is (2Z)-1-(3-bromophenyl)-2-hydroxyiminoethanone.
What is the SMILES notation for (2Z)-1-(3-bromophenyl)-2-hydroxyiminoethanone?
The canonical SMILES for (2Z)-1-(3-bromophenyl)-2-hydroxyiminoethanone is O=C(/C=N\O)c1cccc(Br)c1.
What is the InChIKey of (2Z)-1-(3-bromophenyl)-2-hydroxyiminoethanone?
The InChIKey is KCDHRZJWCYKGAS-YHYXMXQVSA-N. The full InChI is InChI=1S/C8H6BrNO2/c9-7-3-1-2-6(4-7)8(11)5-10-12/h1-5,12H/b10-5-.
What are the key properties of (2Z)-1-(3-bromophenyl)-2-hydroxyiminoethanone?
(2Z)-1-(3-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 (2Z)-1-(3-bromophenyl)-2-hydroxyiminoethanone is sourced from PubChem (CID 125475811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).