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102658-03-7 | 1,2-Benzisothiazol-3(2H)-one, 2-dodecyl-
CAS No: 102658-03-7 Catalog No: AG000826 MDL No:
Product Description
Catalog Number:
AG000826
Chemical Name:
1,2-Benzisothiazol-3(2H)-one, 2-dodecyl-
CAS Number:
102658-03-7
Molecular Formula:
C19H29NOS
Molecular Weight:
319.5047
IUPAC Name:
2-dodecyl-1,2-benzothiazol-3-one
InChI:
InChI=1S/C19H29NOS/c1-2-3-4-5-6-7-8-9-10-13-16-20-19(21)17-14-11-12-15-18(17)22-20/h11-12,14-15H,2-10,13,16H2,1H3
InChI Key:
FKCTXTZVXHJVNT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCn1sc2c(c1=O)cccc2
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.197g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.507g/mol
Monoisotopic Mass:
319.197g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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