4-chloro-3H-1,3-benzoxazol-2-one
TL;DR: 4-chloro-3H-1,3-benzoxazol-2-one (CAS 13603-93-5) is a chemical compound with molecular formula C7H4ClNO2 and molecular weight 168.99306 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-3H-1,3-benzoxazol-2-one
Also Known As: chlorobenzoxazolone, 4-Chlorobenzo[d]oxazol-2-ol, 4-chloro-3H-1,3-benzoxazol-2-one, Chlor-hydroxy-benzoxazol, 2(3H)-Benzoxazolone, 4-chloro-
Technical Specifications
| Molecular Formula | C7H4ClNO2 |
| Molecular Weight | 168.99306 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.99306 Da |
| Heavy Atoms | 11 |
| Complexity | 185.0 |
| SMILES | C1=CC2=C(C(=C1)Cl)NC(=O)O2 |
| InChIKey | CIKGNTMCJKDTAN-UHFFFAOYSA-N |
Chemical Property Profile of 4-chloro-3H-1,3-benzoxazol-2-one
Property Insights of 4-chloro-3H-1,3-benzoxazol-2-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-3H-1,3-benzoxazol-2-one. With a topological polar surface area (TPSA) of 38.3 Ų, 4-chloro-3H-1,3-benzoxazol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-3H-1,3-benzoxazol-2-one has 1 hydrogen bond donor(s) and 2 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-chloro-3H-1,3-benzoxazol-2-one?
The CAS number of 4-chloro-3H-1,3-benzoxazol-2-one is 13603-93-5.
What is the molecular formula of 4-chloro-3H-1,3-benzoxazol-2-one?
The molecular formula of 4-chloro-3H-1,3-benzoxazol-2-one is C7H4ClNO2.
What is the molecular weight of 4-chloro-3H-1,3-benzoxazol-2-one?
The molecular weight of 4-chloro-3H-1,3-benzoxazol-2-one is 168.99306 g/mol.
Where can I buy 4-chloro-3H-1,3-benzoxazol-2-one?
You can request a quote for 4-chloro-3H-1,3-benzoxazol-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-chloro-3H-1,3-benzoxazol-2-one?
Yes, CoreyChem provides custom synthesis services for 4-chloro-3H-1,3-benzoxazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.