Cas no 61053-97-2 (Phenol,4,4'-(4,5,6,7-tetrabromo-1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dichloro-(9CI))
61053-97-2 structure
Product Name:Phenol,4,4'-(4,5,6,7-tetrabromo-1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dichloro-(9CI)
CAS No:61053-97-2
MF:C19H6Br4Cl4O5S
MW:807.740937709808
CID:516563
PubChem ID:6454108
Update Time:2025-04-19
Phenol,4,4'-(4,5,6,7-tetrabromo-1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dichloro-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 2,6-dichloro-4-[4,5,6,7-tetrabromo-3-(3,5-dichloro-4-hydroxyphenyl)-1,1-dioxo-2,1λ<sup>6</sup>-benzoxathiol-3-yl]phenol
- 4,4'-(4,5,6,7-tetrabromo-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dichlorophenol] S,S-dioxide
- 4,4'-(4,5,6,7-tetrabromo-1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2,6-dichlorophenol)
- 4,4'-(4,5,6,7-Tetrabromo-3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dichlorophenol) S,S-dioxide
- DTXSID30897400
- NS00054214
- 61053-97-2
- 4,4'-(4,5,6,7-Tetrabromo-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dichlorophenol]s,s-dioxide
- MJVQTNLSJHMBJI-UHFFFAOYSA-N
- EINECS 262-578-2
- Phenol,4,4'-(4,5,6,7-tetrabromo-1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dichloro-(9CI)
-
- Inchi： 1S/C19H6Br4Cl4O5S/c20-12-11-18(15(23)14(22)13(12)21)33(30,31)32-19(11,5-1-7(24)16(28)8(25)2-5)6-3-9(26)17(29)10(27)4-6/h1-4,28-29H
- InChI Key： MJVQTNLSJHMBJI-UHFFFAOYSA-N
- SMILES： BrC1=C(C(=C(C2=C1C(C1C=C(C(=C(C=1)Cl)O)Cl)(C1C=C(C(=C(C=1)Cl)O)Cl)OS2(=O)=O)Br)Br)Br
Computed Properties
- Exact Mass: 807.53531g/mol
- Monoisotopic Mass: 801.54236g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 33
- Rotatable Bond Count: 2
- Complexity: 799
- 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: 8.5
- Topological Polar Surface Area: 92.2?2
Phenol,4,4'-(4,5,6,7-tetrabromo-1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dichloro-(9CI) Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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