4-CHLOROBENZYLSULFONYLACETIC ACID
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4-CHLOROBENZYLSULFONYLACETIC ACID
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CAS No:
118672-20-1
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Formula:
C9H9ClO4S
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Chemical Name:
4-CHLOROBENZYLSULFONYLACETIC ACID
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Synonyms:
4-CHLOROBENZYLSULFONYLACETIC ACID;acetic acid, [[(4-chlorophenyl)methyl]sulfonyl]-;2-[(4-chlorophenyl)methylsulfonyl]acetic acid;2-[(4-chlorophenyl)methylsulfonyl]ethanoic acid
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CAS No:
4-CHLOROBENZYLSULFONYLACETIC ACID Basic Attributes
248.69
247.99100
190485
DTXSID50307238
2916399090
Characteristics
79.82000
2.42020
1.494±0.06 g/cm3(Predicted)
151.5-152.5 °C
514.7±40.0 °C(Predicted)
265.1ºC
1.587
Computed Properties
Molecular Weight:248.68
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:247.9910076
Monoisotopic Mass:247.9910076
Topological Polar Surface Area:79.8
Heavy Atom Count:15
Complexity:312
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-CHLOROBENZYLSULFONYLACETIC ACID
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