4-Chloroisatoic anhydride
TL;DR: 4-Chloroisatoic anhydride (CAS 1170160-07-2) is a chemical compound with molecular formula C8H4ClNO3 and molecular weight 196.98798 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-chloro-1H-3,1-benzoxazine-2,4-dione
Also Known As: 4-Chloro-isatoic anhydride, 4-chloroisatoic anhydride, 7-chloro-1h-benzo[d][1,3]oxazine-2,4-dione, Phenylmercuricchloride, 7-Chloroisatoic anhydride
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H4ClNO3 |
| Molecular Weight | 196.98798 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.98798 Da |
| Heavy Atoms | 13 |
| Complexity | 256.0 |
| SMILES | C1=CC2=C(C=C1Cl)NC(=O)OC2=O |
| InChIKey | QRUPDIJQZCABTC-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloroisatoic anhydride
Property Insights of 4-Chloroisatoic anhydride
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloroisatoic anhydride. With a topological polar surface area (TPSA) of 55.4 Ų, 4-Chloroisatoic anhydride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloroisatoic anhydride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Chloroisatoic anhydride?
The CAS number of 4-Chloroisatoic anhydride is 1170160-07-2.
What is the molecular formula of 4-Chloroisatoic anhydride?
The molecular formula of 4-Chloroisatoic anhydride is C8H4ClNO3.
What is the molecular weight of 4-Chloroisatoic anhydride?
The molecular weight of 4-Chloroisatoic anhydride is 196.98798 g/mol.
Where can I buy 4-Chloroisatoic anhydride?
You can request a quote for 4-Chloroisatoic anhydride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloroisatoic anhydride?
Yes, CoreyChem provides custom synthesis services for 4-Chloroisatoic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.