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6634-55-5 | Benzothiazole, 2-octyl-
CAS No: 6634-55-5 Catalog No: AG00FHH3 MDL No:
Product Description
Catalog Number:
AG00FHH3
Chemical Name:
Benzothiazole, 2-octyl-
CAS Number:
6634-55-5
IUPAC Name:
2-octyl-1,3-benzothiazole
InChI:
InChI=1S/C15H21NS/c1-2-3-4-5-6-7-12-15-16-13-10-8-9-11-14(13)17-15/h8-11H,2-7,12H2,1H3
InChI Key:
XCLWNGDAGJERCT-UHFFFAOYSA-N
NSC Number:
51919
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.139g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.4g/mol
Monoisotopic Mass:
247.139g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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