Cas no 1048917-99-2 (4-bromo-6-nitro-1(3H)-Isobenzofuranone)
1048917-99-2 structure
Product Name:4-bromo-6-nitro-1(3H)-Isobenzofuranone
CAS No:1048917-99-2
MF:C8H4BrNO4
MW:258.025661468506
CID:2135362
PubChem ID:44829112
Update Time:2025-04-21
4-bromo-6-nitro-1(3H)-Isobenzofuranone Chemical and Physical Properties
Names and Identifiers
-
- 4-bromo-6-nitro-1(3H)-Isobenzofuranone
- 4-bromo-6-nitro-3H-2-benzofuran-1-one
- AKOS015833738
- 1048917-99-2
- 4-Bromo-6-nitroisobenzofuran-1(3H)-one
- DB-059215
- 4-BROMO-6-NITRO-3H-ISOBENZOFURAN-1-ONE
- 4-Bromo-6-nitro-2-benzofuran-1(3H)-one
- DTXSID00661195
-
- Inchi： 1S/C8H4BrNO4/c9-7-2-4(10(12)13)1-5-6(7)3-14-8(5)11/h1-2H,3H2
- InChI Key： RKMFHUQFWOQVGC-UHFFFAOYSA-N
- SMILES： BrC1=CC(=CC2C(=O)OCC=21)[N+](=O)[O-]
Computed Properties
- Exact Mass: 256.93237Da
- Monoisotopic Mass: 256.93237Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 277
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 72.1?2
4-bromo-6-nitro-1(3H)-Isobenzofuranone Related Literature
-
Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
-
M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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