Cas no 81117-83-1 (1-(5-bromo-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)urea)
81117-83-1 structure
Product Name:1-(5-bromo-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)urea
CAS No:81117-83-1
MF:C9H8BrN3O3
MW:286.082120895386
CID:986399
PubChem ID:337467
Update Time:2025-04-20
1-(5-bromo-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)urea Chemical and Physical Properties
Names and Identifiers
-
- 1-(5-bromo-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)urea
- DTXSID30320167
- NSC-355406
- 81117-83-1
- NSC355406
-
- Inchi： 1S/C9H8BrN3O3/c1-13-6-2-4(10)5(12-8(11)14)3-7(6)16-9(13)15/h2-3H,1H3,(H3,11,12,14)
- InChI Key： HWNGSQVZSFPEJK-UHFFFAOYSA-N
- SMILES： BrC1C(=CC2=C(C=1)N(C)C(=O)O2)NC(N)=O
Computed Properties
- Exact Mass: 284.97490g/mol
- Monoisotopic Mass: 284.97490g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 325
- 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: 0.6
- Topological Polar Surface Area: 84.7?2
1-(5-bromo-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)urea Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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5. Agricultural
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