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26325-42-8 | Benzenesulfonic acid, 4-bromo-, 1,2,2-trimethylpropyl ester
CAS No: 26325-42-8 Catalog No: AG002SQT MDL No:
Product Description
Catalog Number:
AG002SQT
Chemical Name:
Benzenesulfonic acid, 4-bromo-, 1,2,2-trimethylpropyl ester
CAS Number:
26325-42-8
Molecular Formula:
C12H17BrO3S
Molecular Weight:
321.2306
IUPAC Name:
3,3-dimethylbutan-2-yl 4-bromobenzenesulfonate
InChI:
InChI=1S/C12H17BrO3S/c1-9(12(2,3)4)16-17(14,15)11-7-5-10(13)6-8-11/h5-9H,1-4H3
InChI Key:
STPUZHSTRISYCM-UHFFFAOYSA-N
SMILES:
CC(C(C)(C)C)OS(=O)(=O)c1ccc(cc1)Br
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.008g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.229g/mol
Monoisotopic Mass:
320.008g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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