Basic information
- CAS
313266-94-3- Standard SMILES
O=C(c1cc2cc(Br)ccc2oc1=O)N1CCSC1c1ccc(Cl)cc1- InChIKey
CJKHYLQLRFABNN-UHFFFAOYSA-N- Molecular formula
- C19H13BrClNO3S
- Average molar mass
- 450.7 g/mol
- Monoisotopic mass
- 448.9488
Names & identifiers
- Preferred name
- 6-Bromo-3-[2-(4-chlorophenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one
- IUPAC
- 6-bromo-3-[2-(4-chlorophenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one
- English name
- 6-bromo-3-{[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]carbonyl}-2H-chromen-2-one
- Molecular formula
- C19H13BrClNO3S
- Molecular weight
- 450.73
Names & synonyms
6-bromo-3-{[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]carbonyl}-2H-chromen-2-oneChemDiv1_000843Oprea1_801954HMS589G07MFCD008281646-bromo-3-[2-(4-chlorophenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-oneAKOS001607916AKOS021984604EU-0051447AG-205/36915030SR-01000402410SR-01000402410-1
Show more names
2H-1-Benzopyran-2-one, 6-bromo-3-[[2-(4-chlorophenyl)-3-thiazolidinyl]carbonyl]-
6-BROMO-3-[2-(4-CHLOROPHENYL)-1,3-THIAZOLIDINE-3-CARBONYL]-2H-CHROMEN-2-ONE
Database identifiers
- CAS
313266-94-3- PubChem CID
- 4443595
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 608
Physicochemical properties
- Boiling point
- 679 · 679.0±55.0 °C(Predicted)
- Density
- 1.645 · 1.645±0.06 g/cm3(Predicted)
- pka
- -2.7 · -2.70±0.40(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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