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65718-88-9 | Benzothiazole, 2-hexyl- (6CI,9CI)
CAS No: 65718-88-9 Catalog No: AG00FJW4 MDL No:
Product Description
Catalog Number:
AG00FJW4
Chemical Name:
Benzothiazole, 2-hexyl- (6CI,9CI)
CAS Number:
65718-88-9
IUPAC Name:
2-hexyl-1,3-benzothiazole
InChI:
InChI=1S/C13H17NS/c1-2-3-4-5-10-13-14-11-8-6-7-9-12(11)15-13/h6-9H,2-5,10H2,1H3
InChI Key:
XETMGEVGSLTKRW-UHFFFAOYSA-N
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.108g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.346g/mol
Monoisotopic Mass:
219.108g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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