Catalog Number
ACM13560924-1
Product Name
Dechlorane 603
Category
Heterocyclic Organic Compound
Synonyms
1,2,3,4,5,6,7,8,12,12,13,13-Dodecachloro-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-1,4:5,8:9,10-trimethanoanthracene;
IUPAC Name
3,4,5,6,10,11,12,13,16,16,17,17-dodecachlorohexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadeca-4,11-diene
Molecular Formula
C17H8Cl12
Canonical SMILES
C1C2C3C(C1C4C2C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6(C(=C(C3(C6(Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C17H8Cl12/c18-8-10(20)14(24)6-3-1-2(4(6)12(8,22)16(14,26)27)5-7(3)15(25)11(21)9(19)13(5,23)17(15,28)29/h2-7H,1H2
InChI Key
WSEXCYJMFQVEIN-UHFFFAOYSA-N
Boiling Point
557.4±50.0 °C
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Hydrogen Bond Acceptor Count
0
Hydrogen Bond Donor Count
0
Monoisotopic Mass
631.688833
Topological Polar Surface Area
0 Ų
Undefined Atom Stereocenter Count
8
Undefined Bond Stereocenter Count
0
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![2-[[2-(Oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethyl)phenyl]methyl]oxirane](https://resource.alfa-chemistry.com/structure/13561-08-5.gif)
