Basic information
- CAS
126067-40-1- Standard SMILES
CCOC(=O)c1cc(C)n(-c2ccc(Cl)cc2Cl)n1- InChIKey
IVEMKPKJNOWXSK-UHFFFAOYSA-N- Molecular formula
- C13H12Cl2N2O2
- Average molar mass
- 299.15 g/mol
- Monoisotopic mass
- 298.027583
Names & identifiers
- Preferred name
- Ethyl 1-(2,4-dichlorophenyl)-5-methyl-1H-pyrazole-3-carboxylate
- IUPAC
- ethyl 1-(2,4-dichlorophenyl)-5-methylpyrazole-3-carboxylate
- English name
- 1-(2,4-DICHLORO-PHENYL)-5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
- Molecular formula
- C13H12Cl2N2O2
- Molecular weight
- 299.15
Names & synonyms
126067-40-1Ethyl 1-(2,4-dichlorophenyl)-5-methyl-1H-pyrazole-3-carboxylateDTXSID30561199RefChem:341946DTXCID305119771-(2,4-DICHLORO-PHENYL)-5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTERethyl 1-(2,4-dichlorophenyl)-5-methylpyrazole-3-carboxylateSCHEMBL340947SCHEMBL294191391H-Pyrazole-3-carboxylic acid, 1-(2,4-dichlorophenyl)-5-methyl-, ethyl ester
Database identifiers
- CAS
126067-40-1- PubChem CID
- 14516396
- DTXSID
DTXSID30561199
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 330
Chemistry & industry
Suppliers2 total
赛纳斯特化学（欢迎点击联系）021-60343070
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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