Basic information
- CAS
878911-87-6- Standard SMILES
Cc1ccc(NC(=O)COC(=O)C2CC2)cc1Cl- InChIKey
CBGKULQQMHZDIK-UHFFFAOYSA-N- Molecular formula
- C13H14ClNO3
- Average molar mass
- 267.71 g/mol
- Monoisotopic mass
- 267.066221
Names & identifiers
- Preferred name
- [2-(3-Chloro-4-methylanilino)-2-oxoethyl] cyclopropanecarboxylate
- IUPAC
- [2-(3-chloro-4-methylanilino)-2-oxoethyl] cyclopropanecarboxylate
Names & synonyms
[2-(3-chloro-4-methylanilino)-2-oxoethyl] cyclopropanecarboxylateMLS002158093CHEMBL1453266DTXSID101331477HMS3063J08AKOS001223596878911-87-6SMR001240569AB00749319-01Z197967762-(3-Chloro-4-methylanilino)-2-oxoethyl cyclopropanecarboxylate
Database identifiers
- CAS
878911-87-6- PubChem CID
- 7863733
- DTXSID
DTXSID101331477- ChEMBL
CHEMBL1453266
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 330
Experimental & physicochemical properties
Solubility35.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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