3564-21-4 Purity
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Specification
The molecular formula is C16H11F3N6O4.
Some synonyms include 37793-53-6, N10-(Trifluoroacetyl)pteroic acid, and 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetamido)benzoic acid.
The molecular weight is 408.29 g/mol.
The InChIKey is IJGIHDXKYQLIMA-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC(=CC=C1C(=O)O)N(CC2=CN=C3C(=N2)C(=O)NC(=N3)N)C(=O)C(F)(F)F.
The topological polar surface area is 151 Ų.
It has 3 hydrogen bond donor counts.
The exact mass and monoisotopic mass are both 408.07938734 g/mol.
It has 4 rotatable bond counts.
The complexity is 707.