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827346-79-2 | Thiophene, 3-(6-bromohexyl)-4-hexyl-
CAS No: 827346-79-2 Catalog No: AG004ZPE MDL No:
Product Description
Catalog Number:
AG004ZPE
Chemical Name:
Thiophene, 3-(6-bromohexyl)-4-hexyl-
CAS Number:
827346-79-2
Molecular Formula:
C16H27BrS
Molecular Weight:
331.3546
IUPAC Name:
3-(6-bromohexyl)-4-hexylthiophene
InChI:
InChI=1S/C16H27BrS/c1-2-3-4-7-10-15-13-18-14-16(15)11-8-5-6-9-12-17/h13-14H,2-12H2,1H3
InChI Key:
QKBXXMBKEWHCSG-UHFFFAOYSA-N
SMILES:
CCCCCCc1cscc1CCCCCCBr
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.102g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.356g/mol
Monoisotopic Mass:
330.102g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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