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83090-04-4 | Benzenesulfonylchloride, 3-(5,5-dimethyl-3-octadecyl-2-thiazolidinyl)-4-hydroxy-
CAS No: 83090-04-4 Catalog No: AG008JXM MDL No:
Product Description
Catalog Number:
AG008JXM
Chemical Name:
Benzenesulfonylchloride, 3-(5,5-dimethyl-3-octadecyl-2-thiazolidinyl)-4-hydroxy-
CAS Number:
83090-04-4
Molecular Formula:
C29H50ClNO3S2
Molecular Weight:
560.2952
IUPAC Name:
3-(5,5-dimethyl-3-octadecyl-1,3-thiazolidin-2-yl)-4-hydroxybenzenesulfonyl chloride
InChI:
InChI=1S/C29H50ClNO3S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-31-24-29(2,3)35-28(31)26-23-25(36(30,33)34)20-21-27(26)32/h20-21,23,28,32H,4-19,22,24H2,1-3H3
InChI Key:
HQLZBBWUVZABSY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCN1CC(SC1c1cc(ccc1O)S(=O)(=O)Cl)(C)C
Properties
Complexity:
683
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
559.292g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
560.293g/mol
Monoisotopic Mass:
559.292g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
11.4
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