4-Chloro-1-(1-methylethyl)-2-nitrobenzene
TL;DR: 4-Chloro-1-(1-methylethyl)-2-nitrobenzene (CAS 76611-16-0) is a chemical compound with molecular formula C9H10ClNO2 and molecular weight 199.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-nitro-1-propan-2-ylbenzene
Also Known As: 1-Chloro-4-isopropyl-3-nitrobenzene, 4-chloro-1-isopropyl-2-nitrobenzene, 4-chloro-2-nitro-1-propan-2-ylbenzene, Benzene,4-chloro-1-(1-methylethyl)-2-nitro-, EINECS 278-499-1
| Molecular Formula | C9H10ClNO2 |
|---|---|
| Molecular Weight | 199.04 g/mol |
| LogP | 3.3716 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.04001 |
| Heavy Atoms | 13 |
| Complexity | 336.38663 |
Chemical Identifiers
| CAS Number | 76611-16-0 |
|---|---|
| SMILES | CC(C)C1=C(C=C(C=C1)Cl)[N+](=O)[O-] |
Product Overview
4-Chloro-1-(1-methylethyl)-2-nitrobenzene (CAS 76611-16-0), with molecular formula C9H10ClNO2 and molecular weight 199.04 g/mol. IUPAC: 4-chloro-2-nitro-1-propan-2-ylbenzene.
Chemical Property Profile of 4-Chloro-1-(1-methylethyl)-2-nitrobenzene
Property Insights of 4-Chloro-1-(1-methylethyl)-2-nitrobenzene
The XLogP value of 3.3716 indicates that 4-Chloro-1-(1-methylethyl)-2-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 4-Chloro-1-(1-methylethyl)-2-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-1-(1-methylethyl)-2-nitrobenzene has 0 hydrogen bond donor(s) and 2 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 4-Chloro-1-(1-methylethyl)-2-nitrobenzene?
The CAS number of 4-Chloro-1-(1-methylethyl)-2-nitrobenzene is 76611-16-0.
What is the molecular formula of 4-Chloro-1-(1-methylethyl)-2-nitrobenzene?
The molecular formula of 4-Chloro-1-(1-methylethyl)-2-nitrobenzene is C9H10ClNO2.
What is the molecular weight of 4-Chloro-1-(1-methylethyl)-2-nitrobenzene?
The molecular weight of 4-Chloro-1-(1-methylethyl)-2-nitrobenzene is 199.04 g/mol.
Where can I buy 4-Chloro-1-(1-methylethyl)-2-nitrobenzene?
You can request a quote for 4-Chloro-1-(1-methylethyl)-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-1-(1-methylethyl)-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-1-(1-methylethyl)-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.