6-bromo-4-hydroxy-2-oxo-2H-chromene-3-carboxylic acid methyl ester

HCID 86649459

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)c1c(O)c2cc(Br)ccc2oc1=O
InChIKey: BGIAVUVCGMHFSB-UHFFFAOYSA-N
Molecular formula: C11H7BrO5
Average molar mass: 299.07 g/mol

Names & identifiers

Preferred name: 6-bromo-4-hydroxy-2-oxo-2H-chromene-3-carboxylic acid methyl ester
IUPAC: methyl 6-bromo-4-hydroxy-2-oxochromene-3-carboxylate

Names & synonyms

SCHEMBL2761737BGIAVUVCGMHFSB-UHFFFAOYSA-N6-bromo-4-hydroxy-2-oxo-2H-chromene-3-carboxylic acid methyl ester

Database identifiers

PubChem CID: 86649459

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 72.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 389

Related reactions

8 records

New reaction record

HRID 178246As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 687673As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1544289As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2122540As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2190903As reactantuspto-grants-2012_12

HRID 2190904As reactantuspto-grants-2012_12

HRID 2190905As reactantuspto-grants-2012_12

HRID 2190908As reactantuspto-grants-2012_12

Compound notes

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