4-chloro-3-(3-methylbutanoylcarbamothioylamino)benzoic acid
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4-chloro-3-(3-methylbutanoylcarbamothioylamino)benzoic acid
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CAS No:
536978-48-0
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Formula:
C13H15ClN2O3S
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Chemical Name:
4-chloro-3-(3-methylbutanoylcarbamothioylamino)benzoic acid
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Synonyms:
4-chloro-3-{[(3-methylbutanoyl)carbamothioyl]amino}benzoic acid;536978-48-0;SMR000219071;MLS000590679;CHEMBL1901145;HMS2534I21;ZINC3247123;STK039810;AKOS000102513;MCULE-2430829803;Z56910827;4-Chloro-3-[3-(3-methyl-butyryl)-thioureido]-benzoic acid;4-chloro-3-{[(3-methylbutanamido)methanethioyl]amino}benzoic acid;4-chloro-3-({[(3-methylbutanoyl)amino]carbonothioyl}amino)benzoic acid
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CAS No:
4-chloro-3-(3-methylbutanoylcarbamothioylamino)benzoic acid Basic Attributes
314.79 g/mol
314.0491912 g/mol
Computed Properties
Molecular Weight:314.79
XLogP3:3.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:314.0491912
Monoisotopic Mass:314.0491912
Topological Polar Surface Area:111
Heavy Atom Count:20
Complexity:390
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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