3,4-Dihydroxy-5-nitrobenzaldehyde
TL;DR: 3,4-Dihydroxy-5-nitrobenzaldehyde (CAS 116313-85-0) is a chemical compound with molecular formula C7H5NO5 and molecular weight 183.01677 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4-dihydroxy-5-nitrobenzaldehyde
Also Known As: 3,4-Dihydroxy-5-nitrobenzaldehyde, 3,4-Dihydroxy-5-nitrobenzaldehdye, null, Benzaldehyde, 3,4-dihydroxy-5-nitro-, Entacapone EP Impurity C
Technical Specifications
| Molecular Formula | C7H5NO5 |
| Molecular Weight | 183.01677 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.01677 Da |
| Heavy Atoms | 13 |
| Complexity | 213.0 |
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])O)O)C=O |
| InChIKey | BBFJODMCHICIAA-UHFFFAOYSA-N |
Chemical Property Profile of 3,4-Dihydroxy-5-nitrobenzaldehyde
Property Insights of 3,4-Dihydroxy-5-nitrobenzaldehyde
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydroxy-5-nitrobenzaldehyde. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dihydroxy-5-nitrobenzaldehyde. Following Lipinski's Rule of Five, 3,4-Dihydroxy-5-nitrobenzaldehyde has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,4-Dihydroxy-5-nitrobenzaldehyde?
The CAS number of 3,4-Dihydroxy-5-nitrobenzaldehyde is 116313-85-0.
What is the molecular formula of 3,4-Dihydroxy-5-nitrobenzaldehyde?
The molecular formula of 3,4-Dihydroxy-5-nitrobenzaldehyde is C7H5NO5.
What is the molecular weight of 3,4-Dihydroxy-5-nitrobenzaldehyde?
The molecular weight of 3,4-Dihydroxy-5-nitrobenzaldehyde is 183.01677 g/mol.
Where can I buy 3,4-Dihydroxy-5-nitrobenzaldehyde?
You can request a quote for 3,4-Dihydroxy-5-nitrobenzaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Dihydroxy-5-nitrobenzaldehyde?
Yes, CoreyChem provides custom synthesis services for 3,4-Dihydroxy-5-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.