Basic information
- Standard SMILES
Cc1cc(Cl)c(Cl)cc1NC(=O)C1(C(=O)O)CC1- InChIKey
VLBCTILSUMRRIV-UHFFFAOYSA-N- Molecular formula
- C12H11Cl2NO3
- Average molar mass
- 288.12 g/mol
- Monoisotopic mass
- 287.0115986
Names & identifiers
- Preferred name
- 1-(2-Methyl-4,5-dichlorophenylaminocarbonyl)cyclopropanecarboxylic acid
- IUPAC
- 1-[(4,5-dichloro-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
Names & synonyms
SCHEMBL9416678VLBCTILSUMRRIV-UHFFFAOYSA-N1-(2-methyl-4,5-dichlorophenylaminocarbonyl)cyclopropanecarboxylic acid1-(2-methyl-4,5dichlorophenylaminocarbonyl)cyclopropanecarboxylic acid
Database identifiers
- PubChem CID
- 19096906
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 370
Related reactions
3 records
Compound notes
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