3-Methyl-4-nitrobenzoyl chloride
TL;DR: 3-Methyl-4-nitrobenzoyl chloride (CAS 35675-46-8) is a chemical compound with molecular formula C8H6ClNO3 and molecular weight 199.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-nitrobenzoyl chloride
Also Known As: 3-Methyl-4-nitrobenzoyl chloride, Benzoyl chloride,3-methyl-4-nitro-, 3-methyl-4-nitro-benzoyl chloride, 3-methyl-4-nitrobenzoylchloride, EINECS 252-670-0
| Molecular Formula | C8H6ClNO3 |
|---|---|
| Molecular Weight | 199.00 g/mol |
| LogP | 2.28222 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.00362 |
| Heavy Atoms | 13 |
| Complexity | 375.65192 |
Chemical Identifiers
| CAS Number | 35675-46-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)Cl)[N+](=O)[O-] |
Product Overview
3-Methyl-4-nitrobenzoyl chloride (CAS 35675-46-8), with molecular formula C8H6ClNO3 and molecular weight 199.00 g/mol. IUPAC: 3-methyl-4-nitrobenzoyl chloride.
Chemical Property Profile of 3-Methyl-4-nitrobenzoyl chloride
Property Insights of 3-Methyl-4-nitrobenzoyl chloride
The XLogP value of 2.28222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-4-nitrobenzoyl chloride. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-4-nitrobenzoyl chloride. Following Lipinski's Rule of Five, 3-Methyl-4-nitrobenzoyl chloride 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-Methyl-4-nitrobenzoyl chloride?
The CAS number of 3-Methyl-4-nitrobenzoyl chloride is 35675-46-8.
What is the molecular formula of 3-Methyl-4-nitrobenzoyl chloride?
The molecular formula of 3-Methyl-4-nitrobenzoyl chloride is C8H6ClNO3.
What is the molecular weight of 3-Methyl-4-nitrobenzoyl chloride?
The molecular weight of 3-Methyl-4-nitrobenzoyl chloride is 199.00 g/mol.
Where can I buy 3-Methyl-4-nitrobenzoyl chloride?
You can request a quote for 3-Methyl-4-nitrobenzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-nitrobenzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-nitrobenzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.