Cas no 2169136-52-9 (7-Bromo-2-chloro-6-fluoroquinazoline)
2169136-52-9 structure
Product Name:7-Bromo-2-chloro-6-fluoroquinazoline
CAS No:2169136-52-9
MF:C8H3BrClFN2
MW:261.478223085403
CID:5738045
PubChem ID:154725101
Update Time:2023-11-10
7-Bromo-2-chloro-6-fluoroquinazoline Chemical and Physical Properties
Names and Identifiers
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- 2169136-52-9
- 7-Bromo-2-chloro-6-fluoroquinazoline
- CS-0498665
- Quinazoline, 7-bromo-2-chloro-6-fluoro-
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- Inchi： 1S/C8H3BrClFN2/c9-5-2-7-4(1-6(5)11)3-12-8(10)13-7/h1-3H
- InChI Key： STWRJUWELQIQFM-UHFFFAOYSA-N
- SMILES： BrC1C(=CC2=CN=C(N=C2C=1)Cl)F
Computed Properties
- Exact Mass: 259.91522g/mol
- Monoisotopic Mass: 259.91522g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 195
- 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: 3.3
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- Density: 1.836±0.06 g/cm3(Predicted)
- Boiling Point: 309.5±35.0 °C(Predicted)
- pka: -1.17±0.30(Predicted)
7-Bromo-2-chloro-6-fluoroquinazoline Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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