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87473-85-6 | 1,3-Benzodioxole-4-sulfonyl chloride, 2,2-dimethyl-
CAS No: 87473-85-6 Catalog No: AG004EPR MDL No:
Product Description
Catalog Number:
AG004EPR
Chemical Name:
1,3-Benzodioxole-4-sulfonyl chloride, 2,2-dimethyl-
CAS Number:
87473-85-6
Molecular Formula:
C9H9ClO4S
Molecular Weight:
248.6834
IUPAC Name:
2,2-dimethyl-1,3-benzodioxole-4-sulfonyl chloride
InChI:
InChI=1S/C9H9ClO4S/c1-9(2)13-6-4-3-5-7(8(6)14-9)15(10,11)12/h3-5H,1-2H3
InChI Key:
KWJYHWCWNRJNMH-UHFFFAOYSA-N
SMILES:
CC1(C)Oc2c(O1)c(ccc2)S(=O)(=O)Cl
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.991g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.677g/mol
Monoisotopic Mass:
247.991g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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