Basic information
- CAS
423752-65-2- Standard SMILES
CCOc1cc(OCC)c(C=CC(=O)O)cc1Br- InChIKey
OGFFBKLVMGWPEQ-UHFFFAOYSA-N- Molecular formula
- C13H15BrO4
- Average molar mass
- 315.16 g/mol
- Monoisotopic mass
- 314.01537
Names & identifiers
- Preferred name
- 3-(5-Bromo-2,4-diethoxyphenyl)prop-2-enoic acid
- IUPAC
- 3-(5-bromo-2,4-diethoxyphenyl)prop-2-enoic acid
- English name
- CHEMBRDG-BB 5967408
- Molecular formula
- C13H15BrO4
- Molecular weight
- 315.16
Names & synonyms
3-(5-bromo-2,4-diethoxyphenyl)prop-2-enoic acid3-(5-bromo-2,4-diethoxy-phenyl)prop-2-enoic AcidDTXSID00358114AKOS030253917CHEMBRDG-BB 59674083-(5-Bromo-2,4-diethoxyphenyl)acrylic acid(2E)-3-(5-BROMO-2,4-DIETHOXYPHENYL)ACRYLIC ACID3-(5-Bromo-2,4-diethoxyphenyl)-2-propenoic acid2-Propenoic acid, 3-(5-bromo-2,4-diethoxyphenyl)-(2E)-3-(5-bromo-2,4-diethoxyphenyl)acrylic acid(SALTDATA: FREE)
Database identifiers
- CAS
423752-65-2- PubChem CID
- 877641
- DTXSID
DTXSID00358114
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Boiling point
- 449 · 449.0±45.0 °C(Predicted)
- Density
- 1.418 · 1.418±0.06 g/cm3(Predicted)
- pka
- 4.45 · 4.45±0.15(Predicted)
Chemistry & industry
Suppliers3 total
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Hangzhou Huarong Pharm Co., Ltd.571-86758373 +8613588754946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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