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 180.0171 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Technical Specifications
| Molecular Formula | C7H4N2O4 |
| Molecular Weight | 180.0171 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.0171 Da |
| Heavy Atoms | 13 |
| Complexity | 253.0 |
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])O)O)C#N |
| InChIKey | JRBDMOJXCREXNN-UHFFFAOYSA-N |
Chemical Property Profile of Benzonitrile, 3,4-dihydroxy-5-nitro-
Property Insights of Benzonitrile, 3,4-dihydroxy-5-nitro-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 3,4-dihydroxy-5-nitro-. The TPSA of 110.0 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
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 180.0171 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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzonitrile, 3,4-dihydroxy-5-nitro-?
Yes, CoreyChem 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.