CAS
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Specification
The molecular formula is C10H12BrNO.
The molecular weight is 242.11 g/mol.
The IUPAC Name is 4-bromo-N-propan-2-ylbenzamide.
The InChI is InChI=1S/C10H12BrNO/c1-7(2)12-10(13)8-3-5-9(11)6-4-8/h3-7H,1-2H3,(H,12,13).
The InChIKey is PWXNCWKINUCUPV-UHFFFAOYSA-N.
The canonical SMILES is CC(C)NC(=O)C1=CC=C(C=C1)Br.
The CAS number is 336182-29-7.
It has 1 hydrogen bond donor count.
It has 2 rotatable bond counts.