COMPUTED DESCRIPTORS
| Molecular Weight | 247.5 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 245.915446 g/mol |
| Monoisotopic Mass | 245.915446 g/mol |
| Topological Polar Surface Area | 67.8 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 317 |
| 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
4-hydroxychlorothalonil is a member of the class of trichlorophenols that is isophthalonitrile substituted at positions 2, 4 and 5 by chloro groups and at position 6 by a hydroxy group. The major metabolite of chlorothalonil. It has a role as a bacterial xenobiotic metabolite. It is a member of trichlorophenols and a nitrile. It is functionally related to an isophthalonitrile. It is a conjugate acid of a 4-hydroxychlorothalonil(1-).