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142023-38-9 | Benzothiazole, 2-dodecyl-
CAS No: 142023-38-9 Catalog No: AG001HLB MDL No:
Product Description
Catalog Number:
AG001HLB
Chemical Name:
Benzothiazole, 2-dodecyl-
CAS Number:
142023-38-9
Molecular Formula:
C19H29NS
Molecular Weight:
303.5053
IUPAC Name:
2-dodecyl-1,3-benzothiazole
InChI:
InChI=1S/C19H29NS/c1-2-3-4-5-6-7-8-9-10-11-16-19-20-17-14-12-13-15-18(17)21-19/h12-15H,2-11,16H2,1H3
InChI Key:
YMSKAIOGNNOEJO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1nc2c(s1)cccc2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.202g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.508g/mol
Monoisotopic Mass:
303.202g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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