Benzonitrile, 3,4-dihydroxy-5-nitro-
TL;DR: Benzonitrile, 3,4-dihydroxy-5-nitro- (CAS 116313-86-1) is a chemical compound with molecular formula C7H4N2O4 and molecular weight 180.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydroxy-5-nitrobenzonitrile
Also Known As: 3,4-Dihydroxy-5-nitrobenzonitrile, 3,4-Dihydroxy-5-nitro-benzonitrile, Benzonitrile, 3,4-dihydroxy-5-nitro-, Benzonitrile,3,4-dihydroxy-5-nitro, BRN 6480172
| Molecular Formula | C7H4N2O4 |
|---|---|
| Molecular Weight | 180.02 g/mol |
| LogP | 0.87768 |
| Topological Polar Surface Area | 107.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.0171 |
| Heavy Atoms | 13 |
| Complexity | 407.68893 |
Chemical Identifiers
| CAS Number | 116313-86-1 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])O)O)C#N |
Product Overview
Benzonitrile, 3,4-dihydroxy-5-nitro- (CAS 116313-86-1), with molecular formula C7H4N2O4 and molecular weight 180.02 g/mol. IUPAC: 3,4-dihydroxy-5-nitrobenzonitrile.
Chemical Property Profile of Benzonitrile, 3,4-dihydroxy-5-nitro-
Property Insights of Benzonitrile, 3,4-dihydroxy-5-nitro-
The XLogP value of 0.87768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 3,4-dihydroxy-5-nitro-. The TPSA of 107.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 3,4-dihydroxy-5-nitro-. Following Lipinski's Rule of Five, Benzonitrile, 3,4-dihydroxy-5-nitro- has 2 hydrogen bond donor(s) and 5 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 Benzonitrile, 3,4-dihydroxy-5-nitro-?
The CAS number of Benzonitrile, 3,4-dihydroxy-5-nitro- is 116313-86-1.
What is the molecular formula of Benzonitrile, 3,4-dihydroxy-5-nitro-?
The molecular formula of Benzonitrile, 3,4-dihydroxy-5-nitro- is C7H4N2O4.
What is the molecular weight of Benzonitrile, 3,4-dihydroxy-5-nitro-?
The molecular weight of Benzonitrile, 3,4-dihydroxy-5-nitro- is 180.02 g/mol.
Where can I buy Benzonitrile, 3,4-dihydroxy-5-nitro-?
You can request a quote for Benzonitrile, 3,4-dihydroxy-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 3,4-dihydroxy-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 3,4-dihydroxy-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.