Basic information
- CAS
28818-24-8- Standard SMILES
CC(C)OC(=O)c1ccccc1C(=C1C=C(Br)C(=O)C(Br)=C1)c1cc(Br)c(O)c(Br)c1- InChIKey
LLJOTVJDOVGQAD-UHFFFAOYSA-N- Molecular formula
- C23H16Br4O4
- Average molar mass
- 676 g/mol
- Monoisotopic mass
- 671.77821
Names & identifiers
- Preferred name
- Isopropyl 2-((3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl)benzoate
- IUPAC
- propan-2-yl 2-[(3,5-dibromo-4-hydroxyphenyl)-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate
- English name
- isopropyl 2-[(3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzoate
- Molecular formula
- C23H16Br4O4
- Molecular weight
- 675.98674
Names & synonyms
28818-24-8Isopropyl 2-((3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl)benzoateNSC-90789NSC90789EINECS 249-254-6SK3NX9AZ2JDTXSID40183008LLJOTVJDOVGQAD-UHFFFAOYSA-NNSC 90789Tetrabromophenolphthalein isopropyl esterpropan-2-yl 2-[(3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoateNS00028554
Show more names
3,3'',5,5''-Tetrabromophenolphthalein isopropyl esterisopropyl 2-[(3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzoateisopropyl 2-[(3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzoatepropan-2-yl 2-[(3,5-dibromo-4-hydroxyphenyl)-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate2-[(3,5-Dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzoic acid 1-methylethyl ester
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 780
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
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Compound notes
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