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85477-09-4 | Benzenesulfonyl chloride, 5-(ethylsulfonyl)-2,4-dimethoxy-
CAS No: 85477-09-4 Catalog No: AG004N8O MDL No:
Product Description
Catalog Number:
AG004N8O
Chemical Name:
Benzenesulfonyl chloride, 5-(ethylsulfonyl)-2,4-dimethoxy-
CAS Number:
85477-09-4
Molecular Formula:
C10H13ClO6S2
Molecular Weight:
328.7896
IUPAC Name:
5-ethylsulfonyl-2,4-dimethoxybenzenesulfonyl chloride
InChI:
InChI=1S/C10H13ClO6S2/c1-4-18(12,13)9-6-10(19(11,14)15)8(17-3)5-7(9)16-2/h5-6H,4H2,1-3H3
InChI Key:
UENXVZUOFSZIHQ-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(cc1S(=O)(=O)CC)S(=O)(=O)Cl
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.984g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.778g/mol
Monoisotopic Mass:
327.984g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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