Cas no 61712-43-4 (Benzoxazole, 5-bromo-2-(3-bromophenyl)-)
61712-43-4 structure
Product Name:Benzoxazole, 5-bromo-2-(3-bromophenyl)-
CAS No:61712-43-4
MF:C13H7Br2NO
MW:353.008781671524
CID:468952
PubChem ID:12306349
Update Time:2025-04-19
Benzoxazole, 5-bromo-2-(3-bromophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoxazole, 5-bromo-2-(3-bromophenyl)-
- 5-bromo-2-(3-bromophenyl)-1,3-benzoxazole
- DTXSID40486768
- AGN-PC-0NIH9T
- 61712-43-4
-
- Inchi： 1S/C13H7Br2NO/c14-9-3-1-2-8(6-9)13-16-11-7-10(15)4-5-12(11)17-13/h1-7H
- InChI Key： CTFFDENAKUTIRA-UHFFFAOYSA-N
- SMILES： BrC1C=CC2=C(C=1)N=C(C1C=CC=C(C=1)Br)O2
Computed Properties
- Exact Mass: 350.88941
- Monoisotopic Mass: 350.88944g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 276
- 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: 4.8
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.03
Benzoxazole, 5-bromo-2-(3-bromophenyl)- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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