CAS
944580-72-7 Purity
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944580-72-7 Purity
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Specification
The molecular formula is C9H9F3N2.
The molecular weight is 202.18 g/mol.
The IUPAC name is N-prop-2-enyl-6-(trifluoromethyl)pyridin-2-amine.
The InChI is InChI=1S/C9H9F3N2/c1-2-6-13-8-5-3-4-7(14-8)9(10,11)12/h2-5H,1,6H2,(H,13,14).
The InChIKey is IFXRFUMNSMOLRR-UHFFFAOYSA-N.
The Canonical SMILES is C=CCNC1=CC=CC(=N1)C(F)(F)F.
The CAS number is 944580-75-0.
The XLogP3-AA value is 2.7.
It has 1 hydrogen bond donor count.
It has 3 rotatable bond counts.