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125878-90-2 | Thiophene, 3-(5-bromopentyl)-
CAS No: 125878-90-2 Catalog No: AG000OW8 MDL No:
Product Description
Catalog Number:
AG000OW8
Chemical Name:
Thiophene, 3-(5-bromopentyl)-
CAS Number:
125878-90-2
Molecular Formula:
C9H13BrS
Molecular Weight:
233.1685
IUPAC Name:
3-(5-bromopentyl)thiophene
InChI:
InChI=1S/C9H13BrS/c10-6-3-1-2-4-9-5-7-11-8-9/h5,7-8H,1-4,6H2
InChI Key:
SKXOPADQXQZOSP-UHFFFAOYSA-N
SMILES:
BrCCCCCc1cscc1
Properties
Complexity:
95.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.992g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.167g/mol
Monoisotopic Mass:
231.992g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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