5-carbamoylsulfanyl-2-nitrobenzoic acid
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5-carbamoylsulfanyl-2-nitrobenzoic acid
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CAS No:
137091-49-7
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Formula:
C8H6N2O5S
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Chemical Name:
5-carbamoylsulfanyl-2-nitrobenzoic acid
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Synonyms:
2-nitro-5-carbamylthiobenzoic acid;2-nitro-5-thiocarbamylbenzoic acid;2-NTCBA;137091-49-7;2-Nitro-5-carbamylthiobenzoic acid;2-Ntcba;DTXSID70929714;2-Nitro-5-thiocarbamylbenzoic acid;Benzoic acid, 5-((aminocarbonyl)thio)-2-nitro-;5-{[Hydroxy(imino)methyl]sulfanyl}-2-nitrobenzoic acid
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CAS No:
Computed Properties
Molecular Weight:242.21
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:241.99974247
Monoisotopic Mass:241.99974247
Topological Polar Surface Area:152
Heavy Atom Count:16
Complexity:316
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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