1. Introduction of2,5-Dibromo-3-octylthiophene
The 2,5-Dibromo-3-octylthiophene, with itsCAS NO14…
1. Introduction of 2,5-Dibromo-3-octylthiophene
The 2,5-Dibromo-3-octylthiophene, with its CAS NO 149703-84-4, is a kind of yellow powder. It has synonyms of Thiophene,2,5-dibromo-3-octyl-. 2,5-Dibromo-3-octylthiophene should be stored in shady and cool warehouse.
2. Properties of 2,5-Dibromo-3-octylthiophene
(1) XLogP3-AA 7.7 (2) H-Bond Acceptor 1 (3) Rotatable Bond Count 7
(4) Exact Mass 353.947549 (5) MonoIsotopic Mass 351.949596
(6) Topological Polar Surface Area 28.2 (7) Heavy Atom Count 15 (8) Complexity 164
(9) Covalently-Bonded Unit Count 1 (10)Feature 3D Hydrophobe Count 3
(11) Feature 3D Ring Count 1 (12) Effective Rotor Count 7
(13) Conformer Sampling RMSD 0.8 (14) CID Conformer Count 156
3. Structure descriptors of 2,5-Dibromo-3-octylthiophene
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
InChIKey: PJGBSUPPENVFAD-UHFFFAOYSA-N
Canonical SMILES : CCCCCCCCC1=C(SC(=C1)Br)Br
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