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287924-56-5 | 5,5'-Bithieno[3,4-b]-1,4-dioxin, 7,7'-dibromo-2,2',3,3'-tetrahydro-
CAS No: 287924-56-5 Catalog No: AG002WI2 MDL No:
Product Description
Catalog Number:
AG002WI2
Chemical Name:
5,5'-Bithieno[3,4-b]-1,4-dioxin, 7,7'-dibromo-2,2',3,3'-tetrahydro-
CAS Number:
287924-56-5
Molecular Formula:
C12H8Br2O4S2
Molecular Weight:
440.1275
IUPAC Name:
5-bromo-7-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
InChI:
InChI=1S/C12H8Br2O4S2/c13-11-7-5(15-1-3-17-7)9(19-11)10-6-8(12(14)20-10)18-4-2-16-6/h1-4H2
InChI Key:
WHJBQEONBIZKMX-UHFFFAOYSA-N
SMILES:
Brc1sc(c2c1OCCO2)c1sc(c2c1OCCO2)Br
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.821g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.12g/mol
Monoisotopic Mass:
437.823g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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