3-硝基过氧苯甲酸
TL;DR: 3-硝基过氧苯甲酸 (CAS 2453-41-0) is a chemical compound with molecular formula C7H5NO5 and molecular weight 183.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-硝基过氧苯甲酸
3-nitrobenzenecarboperoxoic acid
Also Known As: m-Nitroperoxybenzoic acid, 3-Nitroperoxybenzoic acid, meta-nitroperbenzoic acid, 3-Nitrobenzenecarboperoxoic acid, meta-Nitroperoxybenzoic acid
| Molecular Formula | C7H5NO5 |
|---|---|
| Molecular Weight | 183.02 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.01677 |
| Heavy Atoms | 13 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 2453-41-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OO |
| InChIKey | OQOXQGCYFYSFRH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-硝基过氧苯甲酸 (CAS 2453-41-0), with molecular formula C7H5NO5 and molecular weight 183.02 g/mol. IUPAC: 3-nitrobenzenecarboperoxoic acid.
Chemical Property Profile of 3-硝基过氧苯甲酸
Property Insights of 3-硝基过氧苯甲酸
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-硝基过氧苯甲酸. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-硝基过氧苯甲酸. Following Lipinski's Rule of Five, 3-硝基过氧苯甲酸 has 1 hydrogen bond donor(s) and 5 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 3-硝基过氧苯甲酸?
The CAS number of 3-硝基过氧苯甲酸 is 2453-41-0.
What is the molecular formula of 3-硝基过氧苯甲酸?
The molecular formula of 3-硝基过氧苯甲酸 is C7H5NO5.
What is the molecular weight of 3-硝基过氧苯甲酸?
The molecular weight of 3-硝基过氧苯甲酸 is 183.02 g/mol.
Where can I buy 3-硝基过氧苯甲酸?
You can request a quote for 3-硝基过氧苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-硝基过氧苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-硝基过氧苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.