Benzene, 1-(methyl-d3)-2-nitro-
TL;DR: Benzene, 1-(methyl-d3)-2-nitro- (CAS 70786-67-3) is a chemical compound with molecular formula C7H7NO2 and molecular weight 140.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-2-(trideuteriomethyl)benzene
Also Known As: 2-Nitrotoluene, Benzene, 1-(methyl-d3)-2-nitro-, 1-nitro-2-(trideuteriomethyl)benzene, 2-NITROTOLUENE-A,A,A-D3, 1-(Methyl-d3)-2-nitrobenzene
| Molecular Formula | C7H7NO2 |
|---|---|
| Molecular Weight | 140.07 g/mol |
| LogP | 1.90322 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.06651 |
| Heavy Atoms | 10 |
| Complexity | 334.7547 |
Chemical Identifiers
| CAS Number | 70786-67-3 |
|---|---|
| SMILES | [2H]C([2H])([2H])C1=CC=CC=C1[N+](=O)[O-] |
Product Overview
Benzene, 1-(methyl-d3)-2-nitro- (CAS 70786-67-3), with molecular formula C7H7NO2 and molecular weight 140.07 g/mol. IUPAC: 1-nitro-2-(trideuteriomethyl)benzene.
Chemical Property Profile of Benzene, 1-(methyl-d3)-2-nitro-
Property Insights of Benzene, 1-(methyl-d3)-2-nitro-
The XLogP value of 1.90322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-(methyl-d3)-2-nitro-. With a topological polar surface area (TPSA) of 43.14 Ų, Benzene, 1-(methyl-d3)-2-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(methyl-d3)-2-nitro- 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 Benzene, 1-(methyl-d3)-2-nitro-?
The CAS number of Benzene, 1-(methyl-d3)-2-nitro- is 70786-67-3.
What is the molecular formula of Benzene, 1-(methyl-d3)-2-nitro-?
The molecular formula of Benzene, 1-(methyl-d3)-2-nitro- is C7H7NO2.
What is the molecular weight of Benzene, 1-(methyl-d3)-2-nitro-?
The molecular weight of Benzene, 1-(methyl-d3)-2-nitro- is 140.07 g/mol.
Where can I buy Benzene, 1-(methyl-d3)-2-nitro-?
You can request a quote for Benzene, 1-(methyl-d3)-2-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-(methyl-d3)-2-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(methyl-d3)-2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.