Ethyl 4-(5-nitrothiophen-2-yl)piperazine-1-carboxylate
Basic information
- CAS
706767-17-1- Standard SMILES
CCOC(=O)N1CCN(c2ccc([N+](=O)[O-])s2)CC1- InChIKey
UZIJPLRVLJWOGH-UHFFFAOYSA-N- Molecular formula
- C11H15N3O4S
- Average molar mass
- 285.32 g/mol
- Monoisotopic mass
- 285.07832714
Names & identifiers
- Preferred name
- Ethyl 4-(5-nitrothiophen-2-yl)piperazine-1-carboxylate
- IUPAC
- ethyl 4-(5-nitrothiophen-2-yl)piperazine-1-carboxylate
Names & synonyms
ethyl 4-(5-nitrothiophen-2-yl)piperazine-1-carboxylate706767-17-11-Piperazinecarboxylic acid, 4-(5-nitro-2-thienyl)-, ethyl esterSBB025987ethyl 4-(5-nitro-2-thienyl)piperazinecarboxylateDTXSID70399291STK352913AKOS005168323AKOS015922452CCG-200855ST45133960SR-01000103623
Show more names
SR-01000103623-1
Database identifiers
- CAS
706767-17-1- PubChem CID
- 4098326
- DTXSID
DTXSID70399291
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 341
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Related reactions
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Compound notes
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