dimethyl (R)-2-(1-(4-chlorophenyl)-2-nitroethyl)malonate
Basic information
- Standard SMILES
COC(=O)C(C(=O)OC)[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1- InChIKey
RYEKJAURVSKGDU-JTQLQIEISA-N- Molecular formula
- C13H14ClNO6
- Average molar mass
- 315.7 g/mol
Names & identifiers
- Preferred name
- dimethyl (R)-2-(1-(4-chlorophenyl)-2-nitroethyl)malonate
- IUPAC
- dimethyl 2-[(1R)-1-(4-chlorophenyl)-2-nitroethyl]propanedioate
Names & synonyms
RYEKJAURVSKGDU-JTQLQIEISA-Ndimethyl (R)-2-(1-(4-chlorophenyl)-2-nitroethyl)malonateDimethyl (R)-2-[1-(4-chlorophenyl)-2-nitroethyl]-malonate
Database identifiers
- PubChem CID
- 11623829
- Nikkaji
- J2.092.709G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 373
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Related reactions
3 records
Compound notes
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