2-Carbomethoxy 4,5-dichlorobenzoic acid

HCID 19804263
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Basic information

Standard SMILES
COC(=O)c1cc(Cl)c(Cl)cc1C(=O)O
InChIKey
ZKGKTIKTGHPAFM-UHFFFAOYSA-N
Molecular formula
C9H6Cl2O4
Average molar mass
249.04 g/mol
Monoisotopic mass
247.9643141

Names & identifiers

Preferred name
2-Carbomethoxy 4,5-dichlorobenzoic acid
IUPAC
4,5-dichloro-2-methoxycarbonylbenzoic acid

Names & synonyms

SCHEMBL852879ZKGKTIKTGHPAFM-UHFFFAOYSA-N2-carbomethoxy 4,5-dichlorobenzoic acid2-carbomethoxy-4,5-dichlorobenzoic acid4,5-dichlorophthalic acid-2-methyl ester4,5-Dichloro-phthalic acid-2-methyl ester4,5-Dichloro-2-(methoxycarbonyl)benzoic acid

Database identifiers

PubChem CID
19804263

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
15

Related reactions

6 records
New reaction record

Compound notes

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