CAS
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Specification
The molecular formula is C11H15ClN2O.
The molecular weight is 226.70 g/mol.
The IUPAC name is 4-amino-2-chloro-N,N-diethylbenzamide.
The InChI is InChI=1S/C11H15ClN2O/c1-3-14(4-2)11(15)9-6-5-8(13)7-10(9)12/h5-7H,3-4,13H2,1-2H3.
The InChIKey is RJFITOJPVXDCPN-UHFFFAOYSA-N.
The canonical SMILES is CCN(CC)C(=O)C1=C(C=C(C=C1)N)Cl.
The XLogP3-AA value is 2.1.
There is 1 hydrogen bond donor count.
There are 2 hydrogen bond acceptor counts.
There are 3 rotatable bond counts.