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149703-84-4 | Thiophene, 2,5-dibromo-3-octyl-
CAS No: 149703-84-4 Catalog No: AG001LYO MDL No:MFCD00672013
Product Description
Catalog Number:
AG001LYO
Chemical Name:
Thiophene, 2,5-dibromo-3-octyl-
CAS Number:
149703-84-4
Molecular Formula:
C12H18Br2S
Molecular Weight:
354.1443
MDL Number:
MFCD00672013
IUPAC Name:
2,5-dibromo-3-octylthiophene
InChI:
InChI=1S/C12H18Br2S/c1-2-3-4-5-6-7-8-10-9-11(13)15-12(10)14/h9H,2-8H2,1H3
InChI Key:
PJGBSUPPENVFAD-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1cc(sc1Br)Br
Properties
Complexity:
164
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:
7
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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