2-Chloro-1-isocyano-4-nitrobenzene
TL;DR: 2-Chloro-1-isocyano-4-nitrobenzene (CAS 118783-09-8) is a chemical compound with molecular formula C7H3ClN2O2 and molecular weight 181.98831 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-1-isocyano-4-nitrobenzene
Also Known As: 2-chloro-1-isocyano-4-nitrobenzene, 2-Chloro-4-nitrophenylisocyanide, 2-Chloro-4-nitrophenyl isocyanide, Benzene,2-chloro-1-isocyano-4-nitro-, 2-chloro-1-isocyano-4-nitro-benzene
Technical Specifications
| Molecular Formula | C7H3ClN2O2 |
| Molecular Weight | 181.98831 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 50.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.98831 Da |
| Heavy Atoms | 12 |
| Complexity | 229.0 |
| SMILES | [C-]#[N+]C1=C(C=C(C=C1)[N+](=O)[O-])Cl |
| InChIKey | VDXUYONBOVKOHG-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-1-isocyano-4-nitrobenzene
Property Insights of 2-Chloro-1-isocyano-4-nitrobenzene
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1-isocyano-4-nitrobenzene. With a topological polar surface area (TPSA) of 50.2 Ų, 2-Chloro-1-isocyano-4-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-isocyano-4-nitrobenzene has 0 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 2-Chloro-1-isocyano-4-nitrobenzene?
The CAS number of 2-Chloro-1-isocyano-4-nitrobenzene is 118783-09-8.
What is the molecular formula of 2-Chloro-1-isocyano-4-nitrobenzene?
The molecular formula of 2-Chloro-1-isocyano-4-nitrobenzene is C7H3ClN2O2.
What is the molecular weight of 2-Chloro-1-isocyano-4-nitrobenzene?
The molecular weight of 2-Chloro-1-isocyano-4-nitrobenzene is 181.98831 g/mol.
Where can I buy 2-Chloro-1-isocyano-4-nitrobenzene?
You can request a quote for 2-Chloro-1-isocyano-4-nitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-1-isocyano-4-nitrobenzene?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-1-isocyano-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.