Basic information
- CAS
306936-28-7- Standard SMILES
CCOC(=O)c1c(S(=O)(=O)Cl)c(C)n(-c2ccccc2)c1C- InChIKey
BVFOSADNTRNLQQ-UHFFFAOYSA-N- Molecular formula
- C15H16ClNO4S
- Average molar mass
- 341.8 g/mol
- Monoisotopic mass
- 341.0488569
Names & identifiers
- Preferred name
- Ethyl 4-(chlorosulfonyl)-2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxylate
- IUPAC
- ethyl 4-chlorosulfonyl-2,5-dimethyl-1-phenylpyrrole-3-carboxylate
- English name
- Ethyl 4-(chlorosulfonyl)-2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxylate
- Molecular formula
- C15H16ClNO4S
- Molecular weight
- 341.81
Names & synonyms
306936-28-7ETHYL 4-(CHLOROSULFONYL)-2,5-DIMETHYL-1-PHENYL-1H-PYRROLE-3-CARBOXYLATEethyl 4-chlorosulfonyl-2,5-dimethyl-1-phenylpyrrole-3-carboxylate1H-Pyrrole-3-carboxylic acid, 4-(chlorosulfonyl)-2,5-dimethyl-1-phenyl-, ethyl esterDTXSID10371334Ethyl 3-chlorosulphonyl-2,5-dimethyl-1-phenylpyrrole-4-carboxylate
Database identifiers
- CAS
306936-28-7- PubChem CID
- 2736397
- DTXSID
DTXSID10371334
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 498
Physicochemical properties
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3261 · 3261
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 3261
- hs_code
- 2933998090
- risk_code
- 34
- safety_code
- 26-36/37/39
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
APOLLO-NMR[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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