2-[5-methyl-2-(6-nitro-1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]acetic acid
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![2-[5-methyl-2-(6-nitro-1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7f5c305154804061a3f117b45b781c10.png "2-[5-methyl-2-(6-nitro-1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]acetic acid")
2-[5-methyl-2-(6-nitro-1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]acetic acid
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CAS No:
84968-81-0
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Formula:
C13H10N4O5S
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Chemical Name:
2-[5-methyl-2-(6-nitro-1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]acetic acid
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CAS No:
2-[5-methyl-2-(6-nitro-1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]acetic acid Basic Attributes
334.30700
334.03719061
Computed Properties
Molecular Weight:334.31
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:334.03719061
Monoisotopic Mass:334.03719061
Topological Polar Surface Area:157
Heavy Atom Count:23
Complexity:589
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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