2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid
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![2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ac211aa5d0cf46859d14ddab48ee77fa.png "2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid")
2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid
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CAS No:
533919-98-1
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Formula:
C16H13N3O5S
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Chemical Name:
2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid
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Synonyms:
2-({[(3-methyl-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid;ZINC2832592;BBL009578;MFCD03568957;STK100854;AKOS000293782;MCULE-2962725549;SR-01000262402;SR-01000262402-1;533919-98-1
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CAS No:
2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid Basic Attributes
359.4 g/mol
359.05759170 g/mol
Computed Properties
Molecular Weight:359.4
XLogP3:3.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:359.05759170
Monoisotopic Mass:359.05759170
Topological Polar Surface Area:156
Heavy Atom Count:25
Complexity:550
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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