1-Nitro-2-propoxybenzene
TL;DR: 1-Nitro-2-propoxybenzene (CAS 3079-53-6) is a chemical compound with molecular formula C9H11NO3 and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-2-propoxybenzene
Also Known As: 1-Nitro-2-propoxybenzene, Benzene, 1-nitro-2-propoxy-, o-Propoxynitrobenzene, 1-Propoxy-2-nitrobenzene, 2-Nitro-1-propoxybenzene
| Molecular Formula | C9H11NO3 |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.0739 |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 3079-53-6 |
|---|---|
| SMILES | CCCOC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | IGIBTRWOXSIMMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Nitro-2-propoxybenzene (CAS 3079-53-6), with molecular formula C9H11NO3 and molecular weight 181.07 g/mol. IUPAC: 1-nitro-2-propoxybenzene.
Chemical Property Profile of 1-Nitro-2-propoxybenzene
Property Insights of 1-Nitro-2-propoxybenzene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitro-2-propoxybenzene. With a topological polar surface area (TPSA) of 55.1 Ų, 1-Nitro-2-propoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitro-2-propoxybenzene 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
Frequently Asked Questions
What is the CAS number of 1-Nitro-2-propoxybenzene?
The CAS number of 1-Nitro-2-propoxybenzene is 3079-53-6.
What is the molecular formula of 1-Nitro-2-propoxybenzene?
The molecular formula of 1-Nitro-2-propoxybenzene is C9H11NO3.
What is the molecular weight of 1-Nitro-2-propoxybenzene?
The molecular weight of 1-Nitro-2-propoxybenzene is 181.07 g/mol.
Where can I buy 1-Nitro-2-propoxybenzene?
You can request a quote for 1-Nitro-2-propoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-2-propoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-2-propoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.