Cas no 5459-02-9 (5,7-dibromo-1,3-benzoxazol-2(3H)-one)
5459-02-9 structure
Product Name:5,7-dibromo-1,3-benzoxazol-2(3H)-one
CAS No:5459-02-9
MF:C7H3Br2NO2
MW:292.912220239639
CID:942098
PubChem ID:21607
Update Time:2025-04-19
5,7-dibromo-1,3-benzoxazol-2(3H)-one Chemical and Physical Properties
Names and Identifiers
-
- 5,7-dibromo-1,3-benzoxazol-2(3H)-one
- SureCN2149064; BRN 0152969; 5,7-dibromo-3H-benzooxazol-2-one; 2(3H)-Benzoxazolone,7-dibromo-; 5-7-Dibromo-3H-benzooxazol-2-one; 5.7-Dibrom-2-oxo-2.3-dihydro-benzoxazol; NSC25001; 5,7-Dibromo-2-benzoxazolinone; 2-BENZOXAZOLINONE, 5,7-DIBROMO-; AC1L2IOY; 5,7-Dibrom-benzoxazolinon-2; 5,7-Dibrom-3H-benzoxazol-2-on; 5,7-dibromo-3H-benzoxazol-2-one; 2-Benzoxazolinone,7-dibromo-; 5,7-Dibromo-3H-benzooxazol-2-one;
- 5,7-dibromobenzo[d]oxazol-2(3H)-one
- 5,7-DIBROMO-2(3H)-BENZOXAZOLONE
- AGSLHFQPWVSWHT-UHFFFAOYSA-N
- 2-Benzoxazolinone,7-dibromo-
- 5,7-Dibromobenzoxazol-2(3H)-one
- NSC25001
- DB-087340
- NSC-25001
- 2(3H)-Benzoxazolone, 5,7-dibromo-
- BRN 0152969
- NSC 25001
- 2-BENZOXAZOLINONE, 5,7-DIBROMO-
- MHX3ZR3EY8
- 5459-02-9
- DTXSID40203018
- 5,7-Dibromo-2-benzoxazolinone
- 2(3H)-Benzoxazolone,7-dibromo-
- UNII-MHX3ZR3EY8
- 5,7-dibromo-3H-1,3-benzoxazol-2-one
- SCHEMBL2149064
-
- Inchi： 1S/C7H3Br2NO2/c8-3-1-4(9)6-5(2-3)10-7(11)12-6/h1-2H,(H,10,11)
- InChI Key： AGSLHFQPWVSWHT-UHFFFAOYSA-N
- SMILES： BrC1=CC(=CC2=C1OC(N2)=O)Br
Computed Properties
- Exact Mass: 290.85299
- Monoisotopic Mass: 290.85305g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 212
- 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: 2.5
- Topological Polar Surface Area: 38.3?2
Experimental Properties
- PSA: 38.33
5,7-dibromo-1,3-benzoxazol-2(3H)-one Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
M. A. Piechowiak,A. Videcoq,R. Ferrando,D. Bochicchio,C. Pagnoux,F. Rossignol Phys. Chem. Chem. Phys., 2012,14, 1431-1439
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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