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247088-06-8 | Thiophene, 2,5-dibromo-3,4-dibutyl-
CAS No: 247088-06-8 Catalog No: AG002P4Q MDL No:
Product Description
Catalog Number:
AG002P4Q
Chemical Name:
Thiophene, 2,5-dibromo-3,4-dibutyl-
CAS Number:
247088-06-8
Molecular Formula:
C12H18Br2S
Molecular Weight:
354.1443
IUPAC Name:
2,5-dibromo-3,4-dibutylthiophene
InChI:
InChI=1S/C12H18Br2S/c1-3-5-7-9-10(8-6-4-2)12(14)15-11(9)13/h3-8H2,1-2H3
InChI Key:
ZEJNDTVTUVJCKH-UHFFFAOYSA-N
SMILES:
CCCCc1c(Br)sc(c1CCCC)Br
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.948g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.144g/mol
Monoisotopic Mass:
351.95g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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