3-Bromo-4-nitrobenzaldehyde
TL;DR: 3-Bromo-4-nitrobenzaldehyde (CAS 101682-68-2) is a chemical compound with molecular formula C7H4BrNO3 and molecular weight 228.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-nitrobenzaldehyde
Also Known As: 3-bromo-4-nitrobenzaldehyde, Benzaldehyde, 3-bromo-4-nitro-, 3-bromo-4-nitro-benzaldehyde, Benzaldehyde,3-bromo-4-nitro-, 3-Bromo-4-nitrobenzaldehyde, AldrichCPR
| Molecular Formula | C7H4BrNO3 |
|---|---|
| Molecular Weight | 228.94 g/mol |
| LogP | 2.1698 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.93745 |
| Heavy Atoms | 12 |
| Complexity | 337.4234 |
Chemical Identifiers
| CAS Number | 101682-68-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=O)Br)[N+](=O)[O-] |
Product Overview
3-Bromo-4-nitrobenzaldehyde (CAS 101682-68-2), with molecular formula C7H4BrNO3 and molecular weight 228.94 g/mol. IUPAC: 3-bromo-4-nitrobenzaldehyde.
Chemical Property Profile of 3-Bromo-4-nitrobenzaldehyde
Property Insights of 3-Bromo-4-nitrobenzaldehyde
The XLogP value of 2.1698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4-nitrobenzaldehyde. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-4-nitrobenzaldehyde. Following Lipinski's Rule of Five, 3-Bromo-4-nitrobenzaldehyde 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 3-Bromo-4-nitrobenzaldehyde?
The CAS number of 3-Bromo-4-nitrobenzaldehyde is 101682-68-2.
What is the molecular formula of 3-Bromo-4-nitrobenzaldehyde?
The molecular formula of 3-Bromo-4-nitrobenzaldehyde is C7H4BrNO3.
What is the molecular weight of 3-Bromo-4-nitrobenzaldehyde?
The molecular weight of 3-Bromo-4-nitrobenzaldehyde is 228.94 g/mol.
Where can I buy 3-Bromo-4-nitrobenzaldehyde?
You can request a quote for 3-Bromo-4-nitrobenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4-nitrobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.