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113425-39-1 | Spiro[1,3-dithiolane-2,9'-[9H]fluorene], 2',7'-dibromo-
CAS No: 113425-39-1 Catalog No: AG0008KB MDL No:
Product Description
Catalog Number:
AG0008KB
Chemical Name:
Spiro[1,3-dithiolane-2,9'-[9H]fluorene], 2',7'-dibromo-
CAS Number:
113425-39-1
Molecular Formula:
C15H10Br2S2
Molecular Weight:
414.1779
IUPAC Name:
2',7'-dibromospiro[1,3-dithiolane-2,9'-fluorene]
InChI:
InChI=1S/C15H10Br2S2/c16-9-1-3-11-12-4-2-10(17)8-14(12)15(13(11)7-9)18-5-6-19-15/h1-4,7-8H,5-6H2
InChI Key:
WIHXYDYAKNELQZ-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C1(SCCS1)c1c2ccc(c1)Br
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.857g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.173g/mol
Monoisotopic Mass:
411.859g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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