Basic information
- CAS
130178-54-0- Standard SMILES
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]- InChIKey
HBPKKCWUSYDGFM-JTQLQIEISA-M- Molecular formula
- C12H13N2O6S-
- Average molar mass
- 313.31 g/mol
- Monoisotopic mass
- 313.04943231
Names & identifiers
- Preferred name
- 1-(2-Nitrobenzene-1-sulfonyl)piperidine-2-carboxylate
- IUPAC
- (2S)-1-(2-nitrophenyl)sulfonylpiperidine-2-carboxylate
- English name
- 1-[(2-Nitrophenyl)sulfonyl]piperidine-2-carboxylic acid
- Molecular formula
- C12H14N2O6S
- Molecular weight
- 314.31
Names & synonyms
DTXSID509266251-(2-Nitrobenzene-1-sulfonyl)piperidine-2-carboxylate(2S)-1-(2-Nitrobenzene-1-sulfonyl)piperidine-2-carboxylateAKOS BBS-00001505IFLAB-BB F0306-0041N-(2-nitrophenylsulphonyl)piperidine-2-carboxylic acid(2S)-1-(2-nitrophenyl)sulfonyl-2-piperidinecarboxylate1-[(2-Nitrophenyl)sulfonyl]piperidine-2-carboxylic acid2-Piperidinecarboxylic acid, 1-[(2-nitrophenyl)sulfonyl]-
Database identifiers
- CAS
130178-54-0- PubChem CID
- 6920009
- DTXSID
DTXSID50926625
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- -1
- Complexity
- 503
Chemistry & industry
Suppliers3 total
Alchem Pharmtech,Inc.8485655694 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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