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144153-56-0 | 1,4-Butanedione, 1,4-bis(5-bromo-2-thienyl)-
CAS No: 144153-56-0 Catalog No: AG001J0Q MDL No:
Product Description
Catalog Number:
AG001J0Q
Chemical Name:
1,4-Butanedione, 1,4-bis(5-bromo-2-thienyl)-
CAS Number:
144153-56-0
Molecular Formula:
C12H8Br2O2S2
Molecular Weight:
408.1287
IUPAC Name:
1,4-bis(5-bromothiophen-2-yl)butane-1,4-dione
InChI:
InChI=1S/C12H8Br2O2S2/c13-11-5-3-9(17-11)7(15)1-2-8(16)10-4-6-12(14)18-10/h3-6H,1-2H2
InChI Key:
BSWHIXZUPOMRHG-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(s1)Br)CCC(=O)c1ccc(s1)Br
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.831g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.122g/mol
Monoisotopic Mass:
405.833g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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