Benzene, 1-(difluoroisocyanatomethyl)-4-nitro-
TL;DR: Benzene, 1-(difluoroisocyanatomethyl)-4-nitro- (CAS 55669-96-0) is a chemical compound with molecular formula C8H4F2N2O3 and molecular weight 214.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[difluoro(isocyanato)methyl]-4-nitrobenzene
Also Known As: Difluoro methylisocyanate, 1-[Difluoro(isocyanato)methyl]-4-nitrobenzene, Benzene, 1-(difluoroisocyanatomethyl)-4-nitro-, Difluoro(4-nitrophenyl)methyl isocyanate, 1-[Difluoro(isocyanato)methyl]-4-nitrobenzene #
| Molecular Formula | C8H4F2N2O3 |
|---|---|
| Molecular Weight | 214.02 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.019 |
| Heavy Atoms | 15 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 55669-96-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(N=C=O)(F)F)[N+](=O)[O-] |
| InChIKey | XPZKVTFKOFXCAE-UHFFFAOYSA-N |
Product Overview
Benzene, 1-(difluoroisocyanatomethyl)-4-nitro- (CAS 55669-96-0), with molecular formula C8H4F2N2O3 and molecular weight 214.02 g/mol. IUPAC: 1-[difluoro(isocyanato)methyl]-4-nitrobenzene.
Chemical Property Profile of Benzene, 1-(difluoroisocyanatomethyl)-4-nitro-
Property Insights of Benzene, 1-(difluoroisocyanatomethyl)-4-nitro-
The XLogP value of 3.1 indicates that Benzene, 1-(difluoroisocyanatomethyl)-4-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1-(difluoroisocyanatomethyl)-4-nitro-. Following Lipinski's Rule of Five, Benzene, 1-(difluoroisocyanatomethyl)-4-nitro- has 0 hydrogen bond donor(s) and 6 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-(difluoroisocyanatomethyl)-4-nitro-?
The CAS number of Benzene, 1-(difluoroisocyanatomethyl)-4-nitro- is 55669-96-0.
What is the molecular formula of Benzene, 1-(difluoroisocyanatomethyl)-4-nitro-?
The molecular formula of Benzene, 1-(difluoroisocyanatomethyl)-4-nitro- is C8H4F2N2O3.
What is the molecular weight of Benzene, 1-(difluoroisocyanatomethyl)-4-nitro-?
The molecular weight of Benzene, 1-(difluoroisocyanatomethyl)-4-nitro- is 214.02 g/mol.
Where can I buy Benzene, 1-(difluoroisocyanatomethyl)-4-nitro-?
You can request a quote for Benzene, 1-(difluoroisocyanatomethyl)-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-(difluoroisocyanatomethyl)-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(difluoroisocyanatomethyl)-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.