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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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