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98812-46-5

98812-46-5 structural image
Product Name: 3-(CHLOROSULFONYL)-2-METHYLBENZOIC ACID METHYL ESTER
Formula: C9H9ClO4S
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COMPUTED DESCRIPTORS

Molecular Weight 248.68 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 247.9910076 g/mol
Monoisotopic Mass 247.9910076 g/mol
Topological Polar Surface Area 68.8 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 333
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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