3-Chloro-5-methoxyphenylisocyanide
TL;DR: 3-Chloro-5-methoxyphenylisocyanide (CAS 1029634-54-5) is a chemical compound with molecular formula C8H6ClNO and molecular weight 167.0138 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-3-isocyano-5-methoxybenzene
Also Known As: 3-Chloro-5-methoxyphenylisocyanide, 1-chloro-3-isocyano-5-methoxybenzene, 1-chloro-3-isocyano-5-methoxy-benzene
Technical Specifications
| Molecular Formula | C8H6ClNO |
| Molecular Weight | 167.0138 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 13.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.0138 Da |
| Heavy Atoms | 11 |
| Complexity | 174.0 |
| SMILES | COC1=CC(=CC(=C1)[N+]#[C-])Cl |
| InChIKey | TUGQADSTBKNMTR-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chloro-5-methoxyphenylisocyanide
Property Insights of 3-Chloro-5-methoxyphenylisocyanide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-5-methoxyphenylisocyanide. With a topological polar surface area (TPSA) of 13.6 Ų, 3-Chloro-5-methoxyphenylisocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-5-methoxyphenylisocyanide has 0 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 3-Chloro-5-methoxyphenylisocyanide?
The CAS number of 3-Chloro-5-methoxyphenylisocyanide is 1029634-54-5.
What is the molecular formula of 3-Chloro-5-methoxyphenylisocyanide?
The molecular formula of 3-Chloro-5-methoxyphenylisocyanide is C8H6ClNO.
What is the molecular weight of 3-Chloro-5-methoxyphenylisocyanide?
The molecular weight of 3-Chloro-5-methoxyphenylisocyanide is 167.0138 g/mol.
Where can I buy 3-Chloro-5-methoxyphenylisocyanide?
You can request a quote for 3-Chloro-5-methoxyphenylisocyanide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-5-methoxyphenylisocyanide?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-5-methoxyphenylisocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.