4-Bromoisatoic Anhydride
Product Information
Molecular Formula
C8H4BrNO3
Molecular Weight
242.03
Description
4-Bromoisatoic anhydride is a useful research chemical.
Synonyms
7-bromo-1H-3,1-benzoxazine-2,4-dione; 7-bromo-1H-3,1-benzoxazine-2,4-dione
IUPAC Name
7-bromo-1H-3,1-benzoxazine-2,4-dione
SMILES
C1=CC2=C(C=C1Br)NC(=O)OC2=O
InChI
InChI=1S/C8H4BrNO3/c9-4-1-2-5-6(3-4)10-8(12)13-7(5)11/h1-3H,(H,10,12)
InChI Key
PDGHWWQDMPEMKS-UHFFFAOYSA-N
Density
1.826 g/cm3
LogP
1.24380
Safety Information
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
XLogP3
1.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
240.93746 g/mol
Monoisotopic Mass
240.93746 g/mol
Topological Polar Surface Area
55.4Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
256
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
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2021207532-A1 | Compounds and methods for modulating splicing | 2020-04-08 |
| WO-2021105115-A1 | Substituted aminoquinolones as dgkalpha inhibitors for immune activation | 2019-11-28 |
| WO-2021105116-A1 | Substituted aminoquinolones as dgkalpha inhibitors for immune activation | 2019-11-28 |
| WO-2021105117-A1 | Substituted aminoquinolones as dgkalpha inhibitors for immune activation | 2019-11-28 |
| KR-20210039968-A | Bicyclic compound and use thereof | 2019-10-02 |
| US-2021101892-A1 | Bicyclic compound and use thereof | 2019-10-02 |
| WO-2021066578-A1 | Bicyclic compound and use thereof | 2019-10-02 |
| TW-202126632-A | Bicyclic compound and use thereof | 2019-10-02 |
| US-11111237-B2 | Bicyclic compound and use thereof | 2019-10-02 |
| US-2021024473-A1 | Substituted dihydrobenzoxazinones, dihydroquinolones, and methods of their use and synthesis | 2019-07-03 |
