CAS
496-15-1 Purity
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496-15-1 Purity
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Specification
The molecular formula is C8H8ClN.
The molecular weight is 153.61 g/mol.
The IUPAC name is 4-chloro-2,3-dihydro-1H-indole.
The InChI is InChI=1S/C8H8ClN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-3,10H,4-5H2.
The InChIKey is BBHMZHDPVNXFMI-UHFFFAOYSA-N.
The canonical SMILES is C1CNC2=C1C(=CC=C2)Cl.
The CAS number is 41910-64-9.
The exact mass is 153.0345270 g/mol.
It has 1 hydrogen bond donor count.
Yes, it is a canonicalized compound.