Home Other Building Blocks ISOBUTYL P-TOLUENESULFONATE

ISOBUTYL P-TOLUENESULFONATE

CAS No.:
4873-56-7
Catalog Number:
AG003R2V
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003R2V
Chemical Name:
ISOBUTYL P-TOLUENESULFONATE
CAS Number:
4873-56-7
MDL Number:
MFCD00026478
IUPAC Name:
2-methylpropyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C11H16O3S/c1-9(2)8-14-15(12,13)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3
InChI Key:
QIMRPGAQCKHRKB-UHFFFAOYSA-N
UNII:
CS60887388
NSC Number:
214493
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.082g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.306g/mol
Monoisotopic Mass:
228.082g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Structure-activity considerations and in vitro approaches to assess the genotoxicity of 19 methane-, benzene- and toluenesulfonic acid esters. Mutation research 20050307
Properties