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116406-13-4 | Benzothiazole, 2-decyl-
CAS No: 116406-13-4 Catalog No: AG000CE6 MDL No:
Product Description
Catalog Number:
AG000CE6
Chemical Name:
Benzothiazole, 2-decyl-
CAS Number:
116406-13-4
Molecular Formula:
C17H25NS
Molecular Weight:
275.4521
IUPAC Name:
2-decyl-1,3-benzothiazole
InChI:
InChI=1S/C17H25NS/c1-2-3-4-5-6-7-8-9-14-17-18-15-12-10-11-13-16(15)19-17/h10-13H,2-9,14H2,1H3
InChI Key:
FWIRDJNVAUPONL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCc1nc2c(s1)cccc2
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.171g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.454g/mol
Monoisotopic Mass:
275.171g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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