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125131-61-5 | Benzenesulfonyl chloride, 2,6-dimethyl-4-(1-methylethyl)-
CAS No: 125131-61-5 Catalog No: AG000N8U MDL No:
Product Description
Catalog Number:
AG000N8U
Chemical Name:
Benzenesulfonyl chloride, 2,6-dimethyl-4-(1-methylethyl)-
CAS Number:
125131-61-5
Molecular Formula:
C11H15ClO2S
Molecular Weight:
246.7536
IUPAC Name:
2,6-dimethyl-4-propan-2-ylbenzenesulfonyl chloride
InChI:
InChI=1S/C11H15ClO2S/c1-7(2)10-5-8(3)11(9(4)6-10)15(12,13)14/h5-7H,1-4H3
InChI Key:
DOWVXIUMXWOPSG-UHFFFAOYSA-N
SMILES:
CC(c1cc(C)c(c(c1)C)S(=O)(=O)Cl)C
Properties
Complexity:
293
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:
3.8
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