3-Nitrophthalic anhydride
TL;DR: 3-Nitrophthalic anhydride (CAS 641-70-3) is a chemical compound with molecular formula C8H3NO5 and molecular weight 193.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-2-benzofuran-1,3-dione
Also Known As: 3-Nitrophthalic anhydride, 4-nitroisobenzofuran-1,3-dione, null, 4-Nitro-2-benzofuran-1,3-dione, Phthalic anhydride, 3-nitro-
| Molecular Formula | C8H3NO5 |
|---|---|
| Molecular Weight | 193.00 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 193.00113 |
| Heavy Atoms | 14 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 641-70-3 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)OC2=O |
| InChIKey | ROFZMKDROVBLNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitrophthalic anhydride (CAS 641-70-3), with molecular formula C8H3NO5 and molecular weight 193.00 g/mol. IUPAC: 4-nitro-2-benzofuran-1,3-dione.
Chemical Property Profile of 3-Nitrophthalic anhydride
Property Insights of 3-Nitrophthalic anhydride
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitrophthalic anhydride. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrophthalic anhydride. Following Lipinski's Rule of Five, 3-Nitrophthalic anhydride has 0 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-Nitrophthalic anhydride?
The CAS number of 3-Nitrophthalic anhydride is 641-70-3.
What is the molecular formula of 3-Nitrophthalic anhydride?
The molecular formula of 3-Nitrophthalic anhydride is C8H3NO5.
What is the molecular weight of 3-Nitrophthalic anhydride?
The molecular weight of 3-Nitrophthalic anhydride is 193.00 g/mol.
Where can I buy 3-Nitrophthalic anhydride?
You can request a quote for 3-Nitrophthalic anhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrophthalic anhydride?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrophthalic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.