TL;DR: Acetyl chloride, oxo(phenylamino)- (CAS 121342-36-7) is a chemical compound with molecular formula C8H6ClNO2 and molecular weight 183.00871 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-anilino-2-oxoacetyl chloride
Also Known As: Anilino(oxo)acetyl chloride, 2-anilino-2-oxoacetyl chloride, Anilino(oxo)acetyl chloride #, oxo(phenylamino)acetyl chloride, oxo-phenylamino-acetyl chloride
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H6ClNO2 |
| Molecular Weight | 183.00871 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.00871 Da |
| Heavy Atoms | 12 |
| Complexity | 187.0 |
| SMILES | C1=CC=C(C=C1)NC(=O)C(=O)Cl |
| InChIKey | COYSDLRGCXLWQB-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetyl chloride, oxo(phenylamino)-. With a topological polar surface area (TPSA) of 46.2 Ų, Acetyl chloride, oxo(phenylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetyl chloride, oxo(phenylamino)- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Acetyl chloride, oxo(phenylamino)- is 121342-36-7.
The molecular formula of Acetyl chloride, oxo(phenylamino)- is C8H6ClNO2.
The molecular weight of Acetyl chloride, oxo(phenylamino)- is 183.00871 g/mol.
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