Benzene, 1-(dimethoxymethyl)-2-nitro-
TL;DR: Benzene, 1-(dimethoxymethyl)-2-nitro- (CAS 92538-96-0) is a chemical compound with molecular formula C9H11NO4 and molecular weight 197.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dimethoxymethyl)-2-nitrobenzene
Also Known As: 1-(Dimethoxymethyl)-2-nitrobenzene, Benzene, 1-(dimethoxymethyl)-2-nitro-, 2-Nitrobenzaldehyd-dimethylacetal, o-nitrobenzaldehyde dimethylacetal, ORTHO-NITROBENZALDEHYDEDIMETHYLACETAL
| Molecular Formula | C9H11NO4 |
|---|---|
| Molecular Weight | 197.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.0688 |
| Heavy Atoms | 14 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 92538-96-0 |
|---|---|
| SMILES | COC(C1=CC=CC=C1[N+](=O)[O-])OC |
| InChIKey | OAPZTGKQZKPVPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-(dimethoxymethyl)-2-nitro- (CAS 92538-96-0), with molecular formula C9H11NO4 and molecular weight 197.07 g/mol. IUPAC: 1-(dimethoxymethyl)-2-nitrobenzene.
Chemical Property Profile of Benzene, 1-(dimethoxymethyl)-2-nitro-
Property Insights of Benzene, 1-(dimethoxymethyl)-2-nitro-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-(dimethoxymethyl)-2-nitro-. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1-(dimethoxymethyl)-2-nitro-. Following Lipinski's Rule of Five, Benzene, 1-(dimethoxymethyl)-2-nitro- has 0 hydrogen bond donor(s) and 4 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-(dimethoxymethyl)-2-nitro-?
The CAS number of Benzene, 1-(dimethoxymethyl)-2-nitro- is 92538-96-0.
What is the molecular formula of Benzene, 1-(dimethoxymethyl)-2-nitro-?
The molecular formula of Benzene, 1-(dimethoxymethyl)-2-nitro- is C9H11NO4.
What is the molecular weight of Benzene, 1-(dimethoxymethyl)-2-nitro-?
The molecular weight of Benzene, 1-(dimethoxymethyl)-2-nitro- is 197.07 g/mol.
Where can I buy Benzene, 1-(dimethoxymethyl)-2-nitro-?
You can request a quote for Benzene, 1-(dimethoxymethyl)-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-(dimethoxymethyl)-2-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(dimethoxymethyl)-2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.