Basic information
- CAS
101492-44-8- Standard SMILES
C=C(C(=O)OCC)c1ccc(Cl)cc1- InChIKey
LPWDPZHTBYYJTG-UHFFFAOYSA-N- Molecular formula
- C11H11ClO2
- Average molar mass
- 210.65 g/mol
- Monoisotopic mass
- 210.04475727
Names & identifiers
- Preferred name
- Benzeneacetic acid, 4-chloro-alpha-methylene-, ethyl ester
- IUPAC
- ethyl 2-(4-chlorophenyl)prop-2-enoate
- English name
- Benzeneacetic acid, 4-chloro-α-methylene-, ethyl ester
- Molecular formula
- C11H11ClO2
- Molecular weight
- 210.66
Names & synonyms
101492-44-8Benzeneacetic acid, 4-chloro-alpha-methylene-, ethyl esterDTXSID60143962RefChem:324232DTXCID5066453Ethyl 2-(4-chlorophenyl)acrylateEthyl 2-(4-chlorophenyl)prop-2-enoateSCHEMBL7079697LPWDPZHTBYYJTG-UHFFFAOYSA-Nethyl 4-chlorophenyl-alpha-methyleneacetateBenzeneacetic acid, 4-chloro-α-methylene-, ethyl ester
Database identifiers
- CAS
101492-44-8- PubChem CID
- 181005
- DTXSID
DTXSID60143962- Nikkaji
- J2.893.905A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Boiling point
- 311.4 · 311.4±25.0 °C(Predicted)
- Density
- 1.146 · 1.146±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
Related reactions
3 records
Compound notes
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