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3-[2-Chloro-4-(methylsulfonyl)benzoyl]bicyclo[3.2.1]octane-2,4-dione

3-[2-Chloro-4-(methylsulfonyl)benzoyl]bicyclo[3.2.1]octane-2,4-dione structure

CAS No:
126656-88-0
Formula:
C16H15ClO5S
Chemical Name:
3-[2-Chloro-4-(methylsulfonyl)benzoyl]bicyclo[3.2.1]octane-2,4-dione
Synonyms:
Bicyclo[3.2.1]octane-2,4-dione, 3-[2-chloro-4-(methylsulfonyl)benzoyl]-;3-[2-Chloro-4-(methylsulfonyl)benzoyl]bicyclo[3.2.1]octane-2,4-dione;ACMC-20ms3w;SCHEMBL8943111;CTK0C2084;DTXSID60458907;3-(2-chloro-4-methylsulfonylbenzoyl)bicyclo[3.2.1]octane-2,4-dione

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3-[2-Chloro-4-(methylsulfonyl)benzoyl]bicyclo[3.2.1]octane-2,4-dione Basic Attributes

Molecular Weight：

354.801

Exact Mass：

354.033

DSSTox ID：

DTXSID60458907

Characteristics

PSA：

93.7

XLogP3：

Density：

1.438

Boiling Point：

597.7±50.0 °C(Predicted)

Computed Properties

Molecular Weight:354.8
XLogP3:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:354.0328724
Monoisotopic Mass:354.0328724
Topological Polar Surface Area:93.7
Heavy Atom Count:23
Complexity:628
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[2-Chloro-4-(methylsulfonyl)benzoyl]bicyclo[3.2.1]octane-2,4-dione

Basic Attributes
Characteristics
Computed Properties

3-[2-Chloro-4-(methylsulfonyl)benzoyl]bicyclo[3.2.1]octane-2,4-dione

SDS

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