Benzene, 1-fluoro-2-isocyano-4-nitro-
TL;DR: Benzene, 1-fluoro-2-isocyano-4-nitro- (CAS 730971-46-7) is a chemical compound with molecular formula C7H3FN2O2 and molecular weight 166.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-2-isocyano-4-nitrobenzene
Also Known As: 1-fluoro-2-isocyano-4-nitrobenzene, 2-Fluoro-5-nitrophenylisocyanide, Benzene, 1-fluoro-2-isocyano-4-nitro-, 1-fluoro-2-isocyano-4-nitro-benzene, RefChem:323738
| Molecular Formula | C7H3FN2O2 |
|---|---|
| Molecular Weight | 166.02 g/mol |
| LogP | 2.28469 |
| Topological Polar Surface Area | 47.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.01785 |
| Heavy Atoms | 12 |
| Complexity | 370.1594 |
Chemical Identifiers
| CAS Number | 730971-46-7 |
|---|---|
| SMILES | [C-]#[N+]C1=C(C=CC(=C1)[N+](=O)[O-])F |
Product Overview
Benzene, 1-fluoro-2-isocyano-4-nitro- (CAS 730971-46-7), with molecular formula C7H3FN2O2 and molecular weight 166.02 g/mol. IUPAC: 1-fluoro-2-isocyano-4-nitrobenzene.
Chemical Property Profile of Benzene, 1-fluoro-2-isocyano-4-nitro-
Property Insights of Benzene, 1-fluoro-2-isocyano-4-nitro-
The XLogP value of 2.28469 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-fluoro-2-isocyano-4-nitro-. With a topological polar surface area (TPSA) of 47.5 Ų, Benzene, 1-fluoro-2-isocyano-4-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-fluoro-2-isocyano-4-nitro- 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
Frequently Asked Questions
What is the CAS number of Benzene, 1-fluoro-2-isocyano-4-nitro-?
The CAS number of Benzene, 1-fluoro-2-isocyano-4-nitro- is 730971-46-7.
What is the molecular formula of Benzene, 1-fluoro-2-isocyano-4-nitro-?
The molecular formula of Benzene, 1-fluoro-2-isocyano-4-nitro- is C7H3FN2O2.
What is the molecular weight of Benzene, 1-fluoro-2-isocyano-4-nitro-?
The molecular weight of Benzene, 1-fluoro-2-isocyano-4-nitro- is 166.02 g/mol.
Where can I buy Benzene, 1-fluoro-2-isocyano-4-nitro-?
You can request a quote for Benzene, 1-fluoro-2-isocyano-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-fluoro-2-isocyano-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-fluoro-2-isocyano-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.