Molecule ID: 17947

IUPAC Name: methyl 2,5-dichlorobenzoate

Description: The molecule is a methyl ester resulting from the formal condensation of the carboxy group of 2,5-dichlorobenzoic acid with methanol. It as used as a plant growth regulator and fungicide for grafting of grapevines. It has a role as a plant growth regulator and an antifungal agrochemical. It is a methyl ester and a dichlorobenzene. It derives from a 2,5-dichlorobenzoic acid.

SMILES: COC(=O)c1cc(Cl)ccc1Cl

SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl]

InChI: InChI=1S/C8H6Cl2O2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 4.1