邻硝基苯甲醛
TL;DR: 邻硝基苯甲醛 (CAS 552-89-6) is a chemical compound with molecular formula C7H5NO3 and molecular weight 151.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻硝基苯甲醛
2-nitrobenzaldehyde
Also Known As: 2-NITROBENZALDEHYDE, o-Nitrobenzaldehyde, Nitrobenzaldehyde, Benzaldehyde, 2-nitro-, Benzaldehyde, o-nitro-
| Molecular Formula | C7H5NO3 |
|---|---|
| Molecular Weight | 151.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.02695 |
| Heavy Atoms | 11 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 552-89-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=O)[N+](=O)[O-] |
| InChIKey | CMWKITSNTDAEDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻硝基苯甲醛 (CAS 552-89-6), with molecular formula C7H5NO3 and molecular weight 151.03 g/mol. IUPAC: 2-nitrobenzaldehyde.
Chemical Property Profile of 邻硝基苯甲醛
Property Insights of 邻硝基苯甲醛
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 邻硝基苯甲醛. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 邻硝基苯甲醛. Following Lipinski's Rule of Five, 邻硝基苯甲醛 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 邻硝基苯甲醛?
The CAS number of 邻硝基苯甲醛 is 552-89-6.
What is the molecular formula of 邻硝基苯甲醛?
The molecular formula of 邻硝基苯甲醛 is C7H5NO3.
What is the molecular weight of 邻硝基苯甲醛?
The molecular weight of 邻硝基苯甲醛 is 151.03 g/mol.
Where can I buy 邻硝基苯甲醛?
You can request a quote for 邻硝基苯甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻硝基苯甲醛?
Yes, KEHONG BIO provides custom synthesis services for 邻硝基苯甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.