Basic information
- CAS
87388-43-0- Standard SMILES
COC(=O)c1c[nH]cc1-c1cccc(Cl)c1- InChIKey
WBVZSPPQGUREGX-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO2
- Average molar mass
- 235.66 g/mol
- Monoisotopic mass
- 235.0400063
Names & identifiers
- Preferred name
- Methyl 4-(3-chlorophenyl)-1H-pyrrole-3-carboxylate
- IUPAC
- methyl 4-(3-chlorophenyl)-1H-pyrrole-3-carboxylate
Names & synonyms
Methyl 4-(3-chlorophenyl)-1H-pyrrole-3-carboxylate87388-43-0SCHEMBL10508590DTXSID20695331
Database identifiers
- CAS
87388-43-0- PubChem CID
- 53404148
- DTXSID
DTXSID20695331
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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