Cas no 81117-79-5 (6-Amino-5-bromo-3-methyl-1,3-benzoxazol-2-one)
81117-79-5 structure
Product Name:6-Amino-5-bromo-3-methyl-1,3-benzoxazol-2-one
CAS No:81117-79-5
MF:C8H7BrN2O2
MW:243.057380914688
CID:986396
PubChem ID:337465
Update Time:2025-04-20
6-Amino-5-bromo-3-methyl-1,3-benzoxazol-2-one Chemical and Physical Properties
Names and Identifiers
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- 6-amino-5-bromo-3-methyl-1,3-benzoxazol-2-one
- 81117-79-5
- DTXSID10320165
- NSC355402
- NSC-355402
- 6-Amino-5-bromo-3-methyl-1,3-benzoxazol-2-one
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- Inchi： 1S/C8H7BrN2O2/c1-11-6-2-4(9)5(10)3-7(6)13-8(11)12/h2-3H,10H2,1H3
- InChI Key： SPDFGHQUDGLHDG-UHFFFAOYSA-N
- SMILES： BrC1C(=CC2=C(C=1)N(C)C(=O)O2)N
Computed Properties
- Exact Mass: 241.96909g/mol
- Monoisotopic Mass: 241.96909g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 236
- 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: 1.3
- Topological Polar Surface Area: 55.6?2
6-Amino-5-bromo-3-methyl-1,3-benzoxazol-2-one Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
81117-79-5 (6-Amino-5-bromo-3-methyl-1,3-benzoxazol-2-one) Related Products
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