Basic information
- CAS
353269-46-2- Standard SMILES
Cc1cc(C=C(C(=O)O)c2cc(Cl)sc2Br)cs1- InChIKey
PRBFJJQGUBRBNQ-UHFFFAOYSA-N- Molecular formula
- C12H8BrClO2S2
- Average molar mass
- 363.7 g/mol
- Monoisotopic mass
- 361.88376
Names & identifiers
- Preferred name
- 2-(2-Bromo-5-chlorothiophen-3-yl)-3-(5-methylthiophen-3-yl)prop-2-enoic acid
- IUPAC
- 2-(2-bromo-5-chlorothiophen-3-yl)-3-(5-methylthiophen-3-yl)prop-2-enoic acid
- English name
- 2-(2-bromo-5-chloro-3-thienyl)-3-(5-methyl-3-thienyl)acrylic acid
- Molecular formula
- C12H8BrClO2S2
- Molecular weight
- 363.68
Names & synonyms
2-(2-bromo-5-chloro-3-thienyl)-3-(5-methyl-3-thienyl)acrylic acid
Database identifiers
- CAS
353269-46-2- PubChem CID
- 3708423
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- Boiling point
- 425.253 · 425.253±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.728 · 1.728±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.066 · 3.066±0.39(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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