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188062-33-1 | Benzenesulfonic acid, 3-bromo-, 2,2-dimethylpropyl ester
CAS No: 188062-33-1 Catalog No: AG002GOQ MDL No:
Product Description
Catalog Number:
AG002GOQ
Chemical Name:
Benzenesulfonic acid, 3-bromo-, 2,2-dimethylpropyl ester
CAS Number:
188062-33-1
Molecular Formula:
C11H15BrO3S
Molecular Weight:
307.2040
IUPAC Name:
2,2-dimethylpropyl 3-bromobenzenesulfonate
InChI:
InChI=1S/C11H15BrO3S/c1-11(2,3)8-15-16(13,14)10-6-4-5-9(12)7-10/h4-7H,8H2,1-3H3
InChI Key:
VHQOAOCBRZZNBS-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)S(=O)(=O)OCC(C)(C)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.993g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.202g/mol
Monoisotopic Mass:
305.993g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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