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113425-37-9 | Spiro[1,3-dithiolane-2,9'-[9H]fluorene], 2'-bromo-
CAS No: 113425-37-9 Catalog No: AG0008KC MDL No:
Product Description
Catalog Number:
AG0008KC
Chemical Name:
Spiro[1,3-dithiolane-2,9'-[9H]fluorene], 2'-bromo-
CAS Number:
113425-37-9
Molecular Formula:
C15H11BrS2
Molecular Weight:
335.2818
IUPAC Name:
2'-bromospiro[1,3-dithiolane-2,9'-fluorene]
InChI:
InChI=1S/C15H11BrS2/c16-10-5-6-12-11-3-1-2-4-13(11)15(14(12)9-10)17-7-8-18-15/h1-6,9H,7-8H2
InChI Key:
WHSXZCGUAAHMBX-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C1(SCCS1)c1c2cccc1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.949g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.277g/mol
Monoisotopic Mass:
333.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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