Home Sulfos Benzenesulfonyl chloride, 5-(1,1-dimethylethyl)-2-methyl- (9CI)

Benzenesulfonyl chloride, 5-(1,1-dimethylethyl)-2-methyl- (9CI)

CAS No.:
63452-62-0
Catalog Number:
AG00EE6D
Molecular Formula:
C11H15ClO2S
Molecular Weight:
246.7536
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Product Description
Catalog Number:
AG00EE6D
Chemical Name:
Benzenesulfonyl chloride, 5-(1,1-dimethylethyl)-2-methyl- (9CI)
CAS Number:
63452-62-0
Molecular Formula:
C11H15ClO2S
Molecular Weight:
246.7536
MDL Number:
MFCD03147400
IUPAC Name:
5-tert-butyl-2-methylbenzenesulfonyl chloride
InChI:
InChI=1S/C11H15ClO2S/c1-8-5-6-9(11(2,3)4)7-10(8)15(12,13)14/h5-7H,1-4H3
InChI Key:
OVTOPAMDBHJZNS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1S(=O)(=O)Cl)C(C)(C)C
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.048g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.749g/mol
Monoisotopic Mass:
246.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties