Zinc02732104
Basic information
- CAS
207279-36-5- Standard SMILES
CCOC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1- InChIKey
MBJPATUIODMIKJ-WDEREUQCSA-N- Molecular formula
- C12H13ClO2
- Average molar mass
- 224.68 g/mol
- Monoisotopic mass
- 224.0604073
Names & identifiers
- Preferred name
- Zinc02732104
- IUPAC
- trans-ethyl (1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylate
- English name
- Cyclopropanecarboxylic acid, 2-(4-chlorophenyl)-, ethyl ester, (1R,2R)-
- Molecular formula
- C12H13ClO2
- Molecular weight
- 224.68
Names & synonyms
207279-36-5ZINC02732104DTXSID90427525RefChem:388689DTXCID20378359ethyl (1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylateEthyl (1R,2R)-2-(4-Chlorophenyl)cyclopropanecarboxylateCyclopropanecarboxylic acid, 2-(4-chlorophenyl)-, ethyl ester, (1R,2R)-4103-57-5SCHEMBL15056188YQF3958Ethyl trans-2-(4-Chlorophenyl)cyclopropanecarboxylate
Show more names
rel-Ethyl (1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylateAC9064MFCD32642085SY266090(1R,2R)-Ethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate(+/-)-trans-ethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylatetrans-ethyl (1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylate
Database identifiers
- CAS
207279-36-5- PubChem CID
- 7026232
- DTXSID
DTXSID90427525- Nikkaji
- J457.995J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 296.6 · 296.6±33.0 °C(Predicted)
- Density
- 1.224 · 1.224±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…