Cas no 22228-95-1 (2,6-Dibromo-3,4-dichlorophenyl isothiocyanate)
22228-95-1 structure
Product Name:2,6-Dibromo-3,4-dichlorophenyl isothiocyanate
CAS No:22228-95-1
MF:C7HBr2Cl2NS
MW:361.868536710739
CID:3157788
PubChem ID:26599163
Update Time:2025-04-21
2,6-Dibromo-3,4-dichlorophenyl isothiocyanate Chemical and Physical Properties
Names and Identifiers
-
- 2,6-Dibromo-3,4-dichlorophenyl isothiocyanate
- 22228-95-1
-
- MDL： MFCD09878193
- Inchi： 1S/C7HBr2Cl2NS/c8-3-1-4(10)6(11)5(9)7(3)12-2-13/h1H
- InChI Key： IEJCKFQIYIVWON-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C=C(C=1N=C=S)Br)Cl)Cl
Computed Properties
- Exact Mass: 360.75530Da
- Monoisotopic Mass: 358.75735Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 235
- 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: 6
- Topological Polar Surface Area: 44.5?2
2,6-Dibromo-3,4-dichlorophenyl isothiocyanate Related Literature
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1. 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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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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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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