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Chemical structure of 1-(4-fluorobutyl)-1H-indazole-3-carboxylic acid

GC42384

1-(4-fluorobutyl)-1H-indazole-3-carboxylic acid

Also listed as 4-fluoro MDMB-BUTINACA 3-carboxyindazole metabolite

4-fluoro MDMB-BUTINACA 3-carboxyindazole metabolite is an analytical reference standard that is structurally similar to known synthetic cannabinoid metabolites

ChemicalCAS2027536-90-7MW236.2FormulaC12H13FN2O2
CAS number
2027536-90-7
Molecular weight
236.2
Formula
C12H13FN2O2
Solubility
DMF： 30 mg/mL,DMSO： 20 mg/mL,Ethanol： 30 mg/mL,Ethanol：PBS (pH 7·2) (1：30)： 0·03 mg/mL
InChIKey
NUNURCOLPAGUIS-UHFFFAOYSA-N
Catalogue number
GC42384
Brand
GLPBIO
Computed properties PubChem CID 156589031 · XLogP 2.4 · TPSA 55.1 Ų · H-bond donors 1
XLogP
2.4
TPSA
55.1 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
17

SMILES C1=CC=C2C(=C1)C(=NN2CCCCF)C(=O)O

Computed descriptors from PubChem (CID 156589031), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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