Cas no 1000572-48-4 (3-Chloro-2,6-dibromo-4-fluorophenyl isothiocyanate)
1000572-48-4 structure
Product Name:3-Chloro-2,6-dibromo-4-fluorophenyl isothiocyanate
CAS No:1000572-48-4
MF:C7HBr2ClFNS
MW:345.413941144943
CID:3157774
PubChem ID:26599132
Update Time:2025-04-21
3-Chloro-2,6-dibromo-4-fluorophenyl isothiocyanate Chemical and Physical Properties
Names and Identifiers
-
- 3-Chloro-2,6-dibromo-4-fluorophenyl isothiocyanate
- 1,3-dibromo-4-chloro-5-fluoro-2-isothiocyanatobenzene
- 1000572-48-4
-
- MDL： MFCD09878153
- Inchi： 1S/C7HBr2ClFNS/c8-3-1-4(11)6(10)5(9)7(3)12-2-13/h1H
- InChI Key： WODLHJNDLHEDQP-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C=C(C=1N=C=S)Br)F)Cl
Computed Properties
- Exact Mass: 344.78485Da
- Monoisotopic Mass: 342.78690Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 237
- 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: 5.4
- Topological Polar Surface Area: 44.5?2
3-Chloro-2,6-dibromo-4-fluorophenyl isothiocyanate Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
1000572-48-4 (3-Chloro-2,6-dibromo-4-fluorophenyl isothiocyanate) Related Products
- 89284-57-1(BENZENAMINE, 2,4,6-TRIBROMO-3-CHLORO-)
- 1000574-35-5(2,4-Dibromo-3,5-dichloroaniline)
- 149144-04-7(ACETAMIDE, N-(2-BROMO-3-CHLORO-4,5-DIFLUOROPHENYL)-)
- 1000574-64-0(4-Bromo-2,6-difluorophenyl isothiocyanate)
- 1092350-32-7(2-bromo-3,5-dichloro-4-fluoroaniline)
- 149144-06-9(BENZENE, 1-CHLORO-2,3-DIFLUORO-5-ISOTHIOCYANATO-)
- 20059-86-3(1-bromo-2-chloro-4-isocyanatobenzene)
- 1000577-54-7(2-Bromo-6-chloro-4-fluorophenyl isothiocyanate)
- 22228-95-1(2,6-Dibromo-3,4-dichlorophenyl isothiocyanate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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