3-[(3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
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Product Code | F425159 |
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Product Name | 3-[(3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid |
CAS | 402729-32-2 |
Molecular weight | 247.21 |
IUPAC Name | 3-[(3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid |
SMILES | OC(=O)C1=CC(CN2C=CC(=N2)[N+]([O-])=O)=CC=C1 |
INCHI Code | InChI=1S/C11H9N3O4/c15-11(16)9-3-1-2-8(6-9)7-13-5-4-10(12-13)14(17)18/h1-6H,7H2,(H,15,16) |
Asymmetric atoms | 0 |
LogP | 2.3176036 |
H bond acceptors | 5 |
H bond donors | 1 |
fsp3 | 0.09090909 |
Concept Codes | Phenyl, Carboxylic acid, Heterocycle, Heteroaromatic, Nitro, 5-Membered heteroaromatic, 5-Membered heterocycle, Pyrazole, Cyclic, Aromatic, Benzoic acid |