Benzoic acid, 5-amino-2-chloro-4-(1-pyrrolidinyl)-, ethyl ester
Basic information
- CAS
59504-45-9- Standard SMILES
CCOC(=O)c1cc(N)c(N2CCCC2)cc1Cl- InChIKey
PSCMAMDKHWVIQM-UHFFFAOYSA-N- Molecular formula
- C13H17ClN2O2
- Average molar mass
- 268.74 g/mol
- Monoisotopic mass
- 268.0978555
Names & identifiers
- Preferred name
- Benzoic acid, 5-amino-2-chloro-4-(1-pyrrolidinyl)-, ethyl ester
- IUPAC
- ethyl 5-amino-2-chloro-4-pyrrolidin-1-ylbenzoate
Names & synonyms
59504-45-9Benzoic acid, 5-amino-2-chloro-4-(1-pyrrolidinyl)-, ethyl esterNSC146563DTXSID50301832ZINC01728829NSC-146563ETHYL 5-AMINO-2-CHLORO-4-(PYRROLIDIN-1-YL)BENZOATE
Database identifiers
- CAS
59504-45-9- PubChem CID
- 287151
- DTXSID
DTXSID50301832
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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