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89841-21-4 | 1-Propanesulfonic acid, 1-chloro-, 2,2-dimethylpropyl ester
CAS No: 89841-21-4 Catalog No: AG003WVU MDL No:
Product Description
Catalog Number:
AG003WVU
Chemical Name:
1-Propanesulfonic acid, 1-chloro-, 2,2-dimethylpropyl ester
CAS Number:
89841-21-4
Molecular Formula:
C8H17ClO3S
Molecular Weight:
228.7368
IUPAC Name:
2,2-dimethylpropyl 1-chloropropane-1-sulfonate
InChI:
InChI=1S/C8H17ClO3S/c1-5-7(9)13(10,11)12-6-8(2,3)4/h7H,5-6H2,1-4H3
InChI Key:
OEVCCIJLFDAAAL-UHFFFAOYSA-N
SMILES:
CCC(S(=O)(=O)OCC(C)(C)C)Cl
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.731g/mol
Monoisotopic Mass:
228.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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