4,5-Dichloro-6-(1-methyl-5-pyrazolylcarbonyl)-1,3-benzodioxole-2-carboxylic acid

HCID 14748618
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Basic information

Standard SMILES
Cn1nccc1C(=O)c1cc2c(c(Cl)c1Cl)OC(C(=O)O)O2
InChIKey
BNVSFHJTDAWCHL-UHFFFAOYSA-N
Molecular formula
C13H8Cl2N2O5
Average molar mass
343.12 g/mol
Monoisotopic mass
341.9810267

Names & identifiers

Preferred name
4,5-Dichloro-6-(1-methyl-5-pyrazolylcarbonyl)-1,3-benzodioxole-2-carboxylic acid
IUPAC
4,5-dichloro-6-(2-methylpyrazole-3-carbonyl)-1,3-benzodioxole-2-carboxylic acid

Names & synonyms

SCHEMBL9868886BNVSFHJTDAWCHL-UHFFFAOYSA-N4,5-dichloro-6-(1-methyl-5-pyrazolylcarbonyl)-1,3-benzodioxole-2-carboxylic acid

Database identifiers

PubChem CID
14748618

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
90.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
22

Related reactions

3 records
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Compound notes

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