CAS
94240-93-2 Purity
96%
94240-93-2 Purity
96%
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Specification
The molecular formula is C9H8F3N.
The molecular weight is 187.16 g/mol.
The IUPAC name is N-cyclopropyl-2,3,4-trifluoroaniline.
The InChI is InChI=1S/C9H8F3N/c10-6-3-4-7(9(12)8(6)11)13-5-1-2-5/h3-5,13H,1-2H2.
The InChIKey is VXAYENXMTPUJDG-UHFFFAOYSA-N.
The Canonical SMILES is C1CC1NC2=C(C(=C(C=C2)F)F)F.
It has 1 hydrogen bond donor.
It has 4 hydrogen bond acceptors.
Yes, it is a canonicalized compound.
The topological polar surface area is 122.