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Home > Encyclopedia > 3-Chloro-4-(methylsulfonyl)benzoic Acid

3-Chloro-4-(methylsulfonyl)benzoic Acid

3-Chloro-4-(methylsulfonyl)benzoic Acid structure

3-Chloro-4-(methylsulfonyl)benzoic Acid 

structure
  • CAS No:

    1197193-45-5

  • Formula:

    C8H7ClO4S

  • Chemical Name:

    3-Chloro-4-(methylsulfonyl)benzoic Acid

  • Synonyms:

    3-CHLORO-4-(METHYLSULFONYL)BENZOIC ACID;3-chloro-4-methanesulfonylbenzoic acid;Benzoic acid, 3-chloro-4-(methylsulfonyl)-;3-chloro-4-methylsulfonylbenzoic acid;(1R)-(-)-Dimenthylsuccinate;KS-00000CK2;5844AJ;MFCD13191622;ZINC42684489;AKOS022183507

3-Chloro-4-(methylsulfonyl)benzoic Acid Basic Attributes

234.65678

233.97500

2916399090

Characteristics

79.8

2.52250

1.507±0.06 g/cm3(Predicted)

455.3±45.0 °C(Predicted)

Computed Properties

Molecular Weight:234.66
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:233.9753576
Monoisotopic Mass:233.9753576
Topological Polar Surface Area:79.8
Heavy Atom Count:14
Complexity:319
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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