1-(Benzyloxy)-4-chloro-2-nitrobenzene
TL;DR: 1-(Benzyloxy)-4-chloro-2-nitrobenzene (CAS 92044-52-5) is a chemical compound with molecular formula C13H10ClNO3 and molecular weight 263.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-nitro-1-phenylmethoxybenzene
Also Known As: 1-(benzyloxy)-4-chloro-2-nitrobenzene, benzyloxy 5-chloro-nitrobenzene, 2-Benzyloxy-5-chloronitrobenzene, 2-benzyloxy-5-chloro-nitrobenzene, 4-chloro-2-nitro-1-phenylmethoxybenzene
| Molecular Formula | C13H10ClNO3 |
|---|---|
| Molecular Weight | 263.03 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.0349 |
| Heavy Atoms | 18 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 92044-52-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | NMMNCUOEMZBSLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Benzyloxy)-4-chloro-2-nitrobenzene (CAS 92044-52-5), with molecular formula C13H10ClNO3 and molecular weight 263.03 g/mol. IUPAC: 4-chloro-2-nitro-1-phenylmethoxybenzene.
Chemical Property Profile of 1-(Benzyloxy)-4-chloro-2-nitrobenzene
Property Insights of 1-(Benzyloxy)-4-chloro-2-nitrobenzene
The XLogP value of 3.8 indicates that 1-(Benzyloxy)-4-chloro-2-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 1-(Benzyloxy)-4-chloro-2-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Benzyloxy)-4-chloro-2-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
Frequently Asked Questions
What is the CAS number of 1-(Benzyloxy)-4-chloro-2-nitrobenzene?
The CAS number of 1-(Benzyloxy)-4-chloro-2-nitrobenzene is 92044-52-5.
What is the molecular formula of 1-(Benzyloxy)-4-chloro-2-nitrobenzene?
The molecular formula of 1-(Benzyloxy)-4-chloro-2-nitrobenzene is C13H10ClNO3.
What is the molecular weight of 1-(Benzyloxy)-4-chloro-2-nitrobenzene?
The molecular weight of 1-(Benzyloxy)-4-chloro-2-nitrobenzene is 263.03 g/mol.
Where can I buy 1-(Benzyloxy)-4-chloro-2-nitrobenzene?
You can request a quote for 1-(Benzyloxy)-4-chloro-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzyloxy)-4-chloro-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzyloxy)-4-chloro-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.