95641-28-4 Purity
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Specification
The molecular formula of the compound is C10H10ClN3.
The molecular weight of the compound is 207.66 g/mol.
The IUPAC name of the compound is 2-[(3-chlorophenyl)methyl]pyrazol-3-amine.
The InChI of the compound is InChI=1S/C10H10ClN3/c11-9-3-1-2-8(6-9)7-14-10(12)4-5-13-14/h1-6H,7,12H2.
The InChIKey of the compound is IMUYDRBEOFXQGF-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1=CC(=CC(=C1)Cl)CN2C(=CC=N2)N.
The CAS number of the compound is 956440-15-6.
The EC number of the compound is 852-445-2.
The XLogP3-AA value of the compound is 2.1.
Yes, the compound is canonicalized.