CAS
907973-15-3 Purity
96%
907973-15-3 Purity
96%
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Specification
The molecular formula is C9H9F2N.
The molecular weight is 169.17 g/mol.
The IUPAC name is 4,5-difluoro-2,3-dihydro-1H-inden-1-amine.
The InChI is InChI=1S/C9H9F2N/c10-7-3-1-5-6(9(7)11)2-4-8(5)12/h1,3,8H,2,4,12H2.
The InChIKey is UQZVNILLIBEMJF-UHFFFAOYSA-N.
The canonical SMILES is C1CC2=C(C1N)C=CC(=C2F)F.
The XLogP3-AA value is 1.4.
It has 1 hydrogen bond donor count.
It has 3 hydrogen bond acceptor counts.
It has 0 rotatable bond counts.