330460-32-7
Product Name:
prop-2-yn-1-yl (2,4,6-tribromophenyl) phthalate
Formula:
C17H9Br3O4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 517.0 g/mol |
|---|---|
| XLogP3 | 5.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 515.80305 g/mol |
| Monoisotopic Mass | 513.80510 g/mol |
| Topological Polar Surface Area | 52.6 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 503 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-propyn-1-yl 2,4,6-tribromophenyl phthalate is a phthalate ester that is the mixed diester obtained by the formal condensation of carboxy groups of phthalic acid with hydroxy groups of 2,4,6-tribromophenol and prop-2-yn-1-ol respectively. It is an organobromine compound, a phthalate ester and a terminal acetylenic compound. It is functionally related to a 2,4,6-tribromophenol and a prop-2-yn-1-ol.