339011-66-4
Product Name:
DIMETHYL 5-(2,4-DICHLOROPHENYL)-4,6-DIOXOTETRAHYDRO-2H-PYRROLO[3,4-D]ISOXAZOLE-3,3(3AH)-DICARBOXYLATE
Formula:
C15H12Cl2N2O7
Inquiry
COMPUTED DESCRIPTORS
Molecular Weight | 403.2 g/mol |
---|---|
XLogP3 | 1.4 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 5 |
Exact Mass | 402.0021561 g/mol |
Monoisotopic Mass | 402.0021561 g/mol |
Topological Polar Surface Area | 111 Ų |
Heavy Atom Count | 26 |
Formal Charge | 0 |
Complexity | 642 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 2 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
5-(2,4-dichlorophenyl)-4,6-dioxo-3a,6a-dihydro-2H-pyrrolo[3,4-d]isoxazole-3,3-dicarboxylic acid dimethyl ester is a member of pyrrolidines.