3-Nitro-4-(propan-2-yl)benzaldehyde
TL;DR: 3-Nitro-4-(propan-2-yl)benzaldehyde (CAS 130766-91-5) is a chemical compound with molecular formula C10H11NO3 and molecular weight 193.0739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-nitro-4-propan-2-ylbenzaldehyde
Also Known As: 4-ISOPROPYL-3-NITROBENZALDEHYDE, 4-Isopropyl-3-nitro-benzaldehyde, 3-nitro-4-(propan-2-yl)benzaldehyde, 3-nitro-4-propan-2-ylbenzaldehyde, 4-Isopropyl-3-nitro-benzaldehyd
Technical Specifications
| Molecular Formula | C10H11NO3 |
| Molecular Weight | 193.0739 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.0739 Da |
| Heavy Atoms | 14 |
| Complexity | 222.0 |
| SMILES | CC(C)C1=C(C=C(C=C1)C=O)[N+](=O)[O-] |
| InChIKey | VUYAJVSQKPFUSL-UHFFFAOYSA-N |
Chemical Property Profile of 3-Nitro-4-(propan-2-yl)benzaldehyde
Property Insights of 3-Nitro-4-(propan-2-yl)benzaldehyde
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-4-(propan-2-yl)benzaldehyde. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-4-(propan-2-yl)benzaldehyde. Following Lipinski's Rule of Five, 3-Nitro-4-(propan-2-yl)benzaldehyde 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
What is the CAS number of 3-Nitro-4-(propan-2-yl)benzaldehyde?
The CAS number of 3-Nitro-4-(propan-2-yl)benzaldehyde is 130766-91-5.
What is the molecular formula of 3-Nitro-4-(propan-2-yl)benzaldehyde?
The molecular formula of 3-Nitro-4-(propan-2-yl)benzaldehyde is C10H11NO3.
What is the molecular weight of 3-Nitro-4-(propan-2-yl)benzaldehyde?
The molecular weight of 3-Nitro-4-(propan-2-yl)benzaldehyde is 193.0739 g/mol.
Where can I buy 3-Nitro-4-(propan-2-yl)benzaldehyde?
You can request a quote for 3-Nitro-4-(propan-2-yl)benzaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Nitro-4-(propan-2-yl)benzaldehyde?
Yes, CoreyChem provides custom synthesis services for 3-Nitro-4-(propan-2-yl)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.