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| IUPAC Name: | 3-(2-chlorophenyl)-3-oxopropanenitrile |
| Description: | 2-Chlorobenzoylacetonitrile (CAS# 40018-25-5) is used in the synthesis of Clotiazepam (C587410). Compound commonly found in brown and black hair dyes. |
| Molecular Weight: | 179.60 |
| Molecular Formula: | C9H6ClNO |
| Canonical SMILES: | C1=CC=C(C(=C1)C(=O)CC#N)Cl |
| InChI: | InChI=1S/C9H6ClNO/c10-8-4-2-1-3-7(8)9(12)5-6-11/h1-4H,5H2 |
| InChI Key: | SBSWHTFHLWSSQS-UHFFFAOYSA-N |
| Boiling Point: | 302.2 ℃ at 760 mmHg |
| Density: | 1.257 g/cm3 |
| LogP: | 2.43638 |
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Carbonyl Compounds
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
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