Products 1004951-68-1

CAS 1004951-68-1 is the registry number for 2-(3-(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)adamantan-1-yl)acetic acid. Offered by: Biosynth. Available pack sizes: 1g, 100mg.

2-(3-(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)adamantan-1-yl)acetic acid
Biosynth
  • size: 1g, 100mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

2-[3-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-1-adamantyl]acetic acid (CAS 1004951-68-1) is a chemical compound with the molecular formula C16H20ClN3O4 and a molecular weight of 353.80 g/mol. IUPAC name: 2-[3-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-1-adamantyl]acetic acid. InChIKey: FFOUCKPQFNFKTL-UHFFFAOYSA-N.

Identity
Molecular formulaC16H20ClN3O4
Molecular weight353.80 g/mol
IUPAC name2-[3-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-1-adamantyl]acetic acid
InChIKeyFFOUCKPQFNFKTL-UHFFFAOYSA-N
SMILESCC1=C(C(=NN1C23CC4CC(C2)CC(C4)(C3)CC(=O)O)[N+](=O)[O-])Cl

Computed by PubChem (NCBI)

Synonyms: 2-[3-(4-chloro-5-methyl-3-nitropyrazolyl)adamantanyl]acetic acid, [3-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-adamantyl]acetic acid, 2-[3-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-1-adamantyl]acetic acid, 2-(3-(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)adamantan-1-yl)acetic acid, 2-[3-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)adamantan-1-yl]acetic acid, 2-[3-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]acetic Acid
Isomers (same molecular formula)
2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetic acid;hydrochloride C16H20ClN3O4
2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]-N-(4-ethoxyphenyl)acetamide C16H20ClN3O4