Basic information
- CAS
230642-98-5- Standard SMILES
O=C(O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(Cl)c1- InChIKey
BSRJMIGPGRLEBN-JTQLQIEISA-N- Molecular formula
- C11H11ClN2O4
- Average molar mass
- 270.67 g/mol
- Monoisotopic mass
- 270.0407345
Names & identifiers
- Preferred name
- N-(3-Chloro-4-nitrophenyl)-L-proline
- IUPAC
- (2S)-1-(3-chloro-4-nitrophenyl)pyrrolidine-2-carboxylic acid
- English name
- N-(3-Chloro-4-nitrophenyl)-L-proline
- Molecular formula
- C11H11ClN2O4
- Molecular weight
- 270.67
Names & synonyms
230642-98-5N-(3-Chloro-4-nitrophenyl)-L-proline(S)-1-(3-Chloro-4-nitrophenyl)pyrrolidine-2-carboxylic acid(2S)-1-(3-CHLORO-4-NITROPHENYL)PYRROLIDINE-2-CARBOXYLIC ACIDSCHEMBL7493247DTXSID406530191-(3-Chloro-4-nitrophenyl)-L-prolineDB-102591L-Proline, 1-(3-chloro-4-nitrophenyl)-
Database identifiers
- CAS
230642-98-5- PubChem CID
- 34178317
- DTXSID
DTXSID40653019
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Boiling point
- 510.6 · 510.6±50.0 °C(Predicted)
- Density
- 1.503 · 1.503±0.06 g/cm3(Predicted)
- pka
- 3.34 · 3.34±0.20(Predicted)
Chemistry & industry
Suppliers3 total
赛纳斯特化学（欢迎点击联系）021-60343070
江苏洪珉药业有限公司18221292452 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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