CAS
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Specification
The molecular formula is C7H7N3.
The molecular weight is 133.15 g/mol.
The IUPAC name is 1H-indazol-4-amine.
The InChI is InChI=1S/C7H7N3/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H,8H2,(H,9,10).
The InChIKey is MDELYEBAXHZXLZ-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C2C=NNC2=C1)N.
The XLogP3-AA value is 0.9.
The compound has 2 hydrogen bond donor counts.
The compound has 2 hydrogen bond acceptor counts.
The compound has 0 rotatable bond counts.