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675122-11-9 | Benzenesulfonyl chloride, 2,4,6-tris(1-methylpropyl)-
CAS No: 675122-11-9 Catalog No: AG006G3M MDL No:
Product Description
Catalog Number:
AG006G3M
Chemical Name:
Benzenesulfonyl chloride, 2,4,6-tris(1-methylpropyl)-
CAS Number:
675122-11-9
Molecular Formula:
C18H29ClO2S
Molecular Weight:
344.9397
IUPAC Name:
2,4,6-tri(butan-2-yl)benzenesulfonyl chloride
InChI:
InChI=1S/C18H29ClO2S/c1-7-12(4)15-10-16(13(5)8-2)18(22(19,20)21)17(11-15)14(6)9-3/h10-14H,7-9H2,1-6H3
InChI Key:
NDTMEOXMWBXLGD-UHFFFAOYSA-N
SMILES:
CCC(c1cc(C(CC)C)c(c(c1)C(CC)C)S(=O)(=O)Cl)C
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.158g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.938g/mol
Monoisotopic Mass:
344.158g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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