3-[(3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid

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CAS402729-32-2
Purity%
Product CodeF425159
Product Name3-[(3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
CAS402729-32-2
Molecular weight247.21
IUPAC Name3-[(3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
SMILESOC(=O)C1=CC(CN2C=CC(=N2)[N+]([O-])=O)=CC=C1
INCHI CodeInChI=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 atoms0
LogP2.3176036
H bond acceptors5
H bond donors1
fsp30.09090909
Concept CodesPhenyl, Carboxylic acid, Heterocycle, Heteroaromatic, Nitro, 5-Membered heteroaromatic, 5-Membered heterocycle, Pyrazole, Cyclic, Aromatic, Benzoic acid