Basic information
- CAS
949465-81-0- Standard SMILES
CCOC(=O)CC(=O)c1cc(Cc2cccc(Cl)c2F)c(OC)cc1OC- InChIKey
ZTWBZORDUMKEDE-UHFFFAOYSA-N- Molecular formula
- C20H20ClFO5
- Average molar mass
- 394.8 g/mol
- Monoisotopic mass
- 394.0983296
Overview
See other relationships...
Names & identifiers
- Preferred name
- Ethyl 3-(5-(3-chloro-2-fluorobenzyl)-2,4-dimethoxyphenyl)-3-oxopropionate
- IUPAC
- ethyl 3-[5-[(3-chloro-2-fluorophenyl)methyl]-2,4-dimethoxyphenyl]-3-oxopropanoate
- English name
- ethyl 3-(5-(3-chloro-2-fluorobenzyl)-2,4-diMethoxyphenyl)-3-oxopropanoate
- Molecular formula
- C20H20ClFO5
- Molecular weight
- 394.82
Names & synonyms
949465-81-0ethyl 3-(5-(3-chloro-2-fluorobenzyl)-2,4-dimethoxyphenyl)-3-oxopropionateSCHEMBL1104885ZTWBZORDUMKEDE-UHFFFAOYSA-NDTXSID601019503DB-307971Ethyl 3-(5-(3-chloro-2-fluorobenzyl)-2,4-dimethoxyphenyl)-3-oxopropanoate, 97%Ethyl 3-{5-[(3-chloro-2-fluorophenyl)methyl]-2,4-dimethoxyphenyl}-3-oxopropanoateethyl 3-(5-(3-chloro-2-fluorobenzyl)-2,4-diMethoxyphenyl)-3-oxopropanoateBenzenepropanoic acid, 5-[(3-chloro-2-fluorophenyl)methyl]-2,4-dimethoxy-β-oxo-, ethyl ester
Database identifiers
- CAS
949465-81-0- PubChem CID
- 24809654
- DTXSID
DTXSID601019503
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 503
Physicochemical properties
- Boiling point
- 507.4 · 507.4±50.0 °C(Predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- pka
- 10.81 · 10.81±0.50(Predicted)
- REACH Registrations
- Inactive
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
- REACH Registrations
- Inactive
Chemistry & industry
Suppliers8 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
南京宁吉通医药生物科技有限公司0-19710401727 19710401727 · [email protected]
杭州贝诺化工有限公司17342059697 · [email protected]
Hangzhou Benoy Chemical Co., Ltd+8617342059697 · [email protected]
Related reactions
2 records
Compound notes
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