3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid

Chemical Structure Depiction of
3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
Available: 73 mg
Amount:
mg
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Compound characteristics

Compound ID: Y507-0014
Compound Name: 3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
Molecular Weight: 275.26
Molecular Formula: C13 H13 N3 O4
Smiles: Cc1c(c(C)n(Cc2cccc(c2)C(O)=O)n1)[N+]([O-])=O
Stereo: ACHIRAL
logP: 1.9155
logD: -1.4458
logSw: -1.9943
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 1
Polar surface area: 75.708
InChI Key: JJKZCGLFVALIHV-UHFFFAOYSA-N
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