Cas no 443124-56-9 (ASISCHEM T31053)
ASISCHEM T31053 structure
Product Name:ASISCHEM T31053
CAS No:443124-56-9
MF:C13H8BrIN2O
MW:415.023894309998
CID:892315
Update Time:2026-04-29
ASISCHEM T31053 Chemical and Physical Properties
Names and Identifiers
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- ASISCHEM T31053
- 2-(2-BROMO-5-IODOPHENYL)-5-BENZOXAZOLAMINE
- 5-BENZOXAZOLAMINE, 2-(2-BROMO-5-IODOPHENYL)-
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Computed Properties
- Exact Mass: 413.88600
- Monoisotopic Mass: 413.886
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 307
- 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
Experimental Properties
- PSA: 52.05000
- LogP: 5.02530
ASISCHEM T31053 Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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