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Specification
The molecular formula of 2,3-Diaminobenzotrifluoride is C7H7F3N2.
The molecular weight of 2,3-Diaminobenzotrifluoride is 176.14 g/mol.
The IUPAC name of 2,3-Diaminobenzotrifluoride is 3-(trifluoromethyl)benzene-1,2-diamine.
The InChI of 2,3-Diaminobenzotrifluoride is InChI=1S/C7H7F3N2/c8-7(9,10)4-2-1-3-5(11)6(4)12/h1-3H,11-12H2.
The Canonical SMILES of 2,3-Diaminobenzotrifluoride is C1=CC(=C(C(=C1)N)N)C(F)(F)F.
The CAS number of 2,3-Diaminobenzotrifluoride is 360-60-1.
There are 2 hydrogen bond donors in 2,3-Diaminobenzotrifluoride.
There are 5 hydrogen bond acceptors in 2,3-Diaminobenzotrifluoride.
The topological polar surface area of 2,3-Diaminobenzotrifluoride is 52 Ų.
Yes, the compound is canonicalized in 2,3-Diaminobenzotrifluoride.