Basic information
- CAS
1835726-67-4- Standard SMILES
CCOC(=O)C(F)(F)c1ccccc1C(=O)OC- InChIKey
WURIVMIRSMPKSV-UHFFFAOYSA-N- Molecular formula
- C12H12F2O4
- Average molar mass
- 258.22 g/mol
- Monoisotopic mass
- 258.07036518
Names & identifiers
- Preferred name
- Methyl 2-(2-ethoxy-1,1-difluoro-2-oxoethyl)benzoate
- IUPAC
- methyl 2-(2-ethoxy-1,1-difluoro-2-oxoethyl)benzoate
- English name
- Methyl 2-(2-ethoxy-1,1-difluoro-2-oxoethyl)benzoate
- Molecular formula
- C12H12F2O4
- Molecular weight
- 258.22
Names & synonyms
Methyl 2-(2-ethoxy-1,1-difluoro-2-oxoethyl)benzoate1835726-67-4Benzeneacetic acid, alpha,alpha-difluoro-2-(methoxycarbonyl)-, ethyl esterSCHEMBL17398614MFCD28039123BS-34814CS-0148821E79156CCOC(=O)C(F)(F)C1=C(C=CC=C1)C(=O)OCF694818methyl 2-(2-ethoxy-1,1-difluoro-2-oxo-ethyl)benzoateBenzeneacetic acid, |A,|A-difluoro-2-(methoxycarbonyl)-, ethyl ester
Show more names
Benzeneacetic acid, α,α-difluoro-2-(methoxycarbonyl)-, ethyl ester
Database identifiers
- CAS
1835726-67-4- PubChem CID
- 118628777
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Boiling point
- 326.4 · 326.4±42.0 °C(Predicted)
- Density
- 1.239 · 1.239±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- Appearance
- Colorless to light yellow Liquid
Chemistry & industry
Suppliers8 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
杭州博洛科生物科技有限公司13757158499; 13757158499 · [email protected]
上海弘敏医药科技有限公司13651987816 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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