Ethyl 4-(2-bromophenyl)thiazole-2-carboxylate
Basic information
- CAS
1261269-07-1- Standard SMILES
CCOC(=O)c1nc(-c2ccccc2Br)cs1- InChIKey
SLXFMMOYYUZOAC-UHFFFAOYSA-N- Molecular formula
- C12H10BrNO2S
- Average molar mass
- 312.18 g/mol
- Monoisotopic mass
- 310.96156
Names & identifiers
- Preferred name
- Ethyl 4-(2-bromophenyl)thiazole-2-carboxylate
- IUPAC
- ethyl 4-(2-bromophenyl)-1,3-thiazole-2-carboxylate
- English name
- Ethyl 4-(2-BroMophenyl)thiazole-2-carboxylate
- Molecular formula
- C12H10BrNO2S
- Molecular weight
- 312.18
Names & synonyms
Ethyl 4-(2-bromophenyl)thiazole-2-carboxylate1261269-07-1ethyl 4-(2-bromophenyl)-1,3-thiazole-2-carboxylateMFCD118466372-Thiazolecarboxylic acid, 4-(2-bromophenyl)-, ethyl esterEthyl4-(2-Bromophenyl)thiazole-2-carboxylateDTXSID201192571AC3539AKOS010644239SY012426DB-062459CS-0443948
Show more names
Ethyl 4-(2-bromophenyl)-2-thiazolecarboxylate
Database identifiers
- CAS
1261269-07-1- PubChem CID
- 53404105
- DTXSID
DTXSID201192571
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Boiling point
- 402 · 402.0±37.0 °C(Predicted)
- Density
- 1.5 · 1.500±0.06 g/cm3(Predicted)
- pka
- -0.79 · -0.79±0.10(Predicted)
- HS Code
- 2934100090 · 2934100090
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
- hs_code
- 2934100090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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