1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, 1-butyl ester
2,3,4,5-tetrabromo-6-butoxycarbonylbenzoic acid
Also Known As: Butyl hydrogen tetrabromophthalate|Monobutyl tetrabromophthalate|2,3,4,5-tetrabromo-6-butoxycarbonylbenzoic acid|1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, 1-butyl ester|2,3,4,5-TETRABROMO-6-(BUTOXYCARBONYL)BENZOIC ACID|3,4,5,6-Tetrabromo-1,2-benzenedicarboxylic acid, monobutyl ester|1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, monobutyl ester|3,4,5,6-Tetrabromo-1,2-benzenedicarboxylic acid,monobutyl ester|3,4,5,6-Tetrabromo-1,2-benzenedicarboxylic acid hydrogen 1-butyl ester
| Molecular Formula | C12H10Br4O4 |
|---|---|
| Molecular Weight | 533.73126 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 533.73126 |
| Monoisotopic Mass | 533.73126 |
| Heavy Atoms | 20 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 42597-49-9 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)O |
| InChIKey | NMYAGQGGKVRMGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, 1-butyl ester (CAS 42597-49-9), with molecular formula C12H10Br4O4 and molecular weight 533.73126 g/mol. IUPAC: 2,3,4,5-tetrabromo-6-butoxycarbonylbenzoic acid.
1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, 1-butyl ester is a custom synthesis product. We offer services from milligram to kilogram scale.
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