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116816-87-6 | Thiophene, 2-(6-bromohexyl)-
CAS No: 116816-87-6 Catalog No: AG000D9P MDL No:
Product Description
Catalog Number:
AG000D9P
Chemical Name:
Thiophene, 2-(6-bromohexyl)-
CAS Number:
116816-87-6
Molecular Formula:
C10H15BrS
Molecular Weight:
247.1951
IUPAC Name:
2-(6-bromohexyl)thiophene
InChI:
InChI=1S/C10H15BrS/c11-8-4-2-1-3-6-10-7-5-9-12-10/h5,7,9H,1-4,6,8H2
InChI Key:
FUAKBAOIYCACMG-UHFFFAOYSA-N
SMILES:
BrCCCCCCc1cccs1
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.008g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.194g/mol
Monoisotopic Mass:
246.008g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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