2-(Hydroxymethyl)-5-nitrobenzeneboronic acid dehydrate
TL;DR: 2-(Hydroxymethyl)-5-nitrobenzeneboronic acid dehydrate (CAS 118803-70-6) is a chemical compound with molecular formula C7H6BNO4 and molecular weight 179.03899 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-hydroxy-6-nitro-3H-2,1-benzoxaborole
Also Known As: 6-Nitrobenzo[c][1,2]oxaborol-1(3H)-ol, 1-hydroxy-6-nitro-3H-2,1-benzoxaborole, (2-HYDROXYMETHYL-5-NITRO)BENZENEBORONIC ACID DEHYDRATE, 1-HYDROXY-6-NITRO-2,1-BENZOXABOROLANE, 6-nitro-3H-2,1-benzoxaborol-1-ol
Technical Specifications
| Molecular Formula | C7H6BNO4 |
| Molecular Weight | 179.03899 g/mol |
| XLogP | -0.1875 |
| Topological Polar Surface Area (TPSA) | 75.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.03899 Da |
| Heavy Atoms | 13 |
| Complexity | 219.0 |
| SMILES | B1(C2=C(CO1)C=CC(=C2)[N+](=O)[O-])O |
| InChIKey | GFFKBQCIGADRSN-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Hydroxymethyl)-5-nitrobenzeneboronic acid dehydrate
Property Insights of 2-(Hydroxymethyl)-5-nitrobenzeneboronic acid dehydrate
The XLogP value of -0.1875 indicates that 2-(Hydroxymethyl)-5-nitrobenzeneboronic acid dehydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Hydroxymethyl)-5-nitrobenzeneboronic acid dehydrate. Following Lipinski's Rule of Five, 2-(Hydroxymethyl)-5-nitrobenzeneboronic acid dehydrate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(Hydroxymethyl)-5-nitrobenzeneboronic acid dehydrate?
The CAS number of 2-(Hydroxymethyl)-5-nitrobenzeneboronic acid dehydrate is 118803-70-6.
What is the molecular formula of 2-(Hydroxymethyl)-5-nitrobenzeneboronic acid dehydrate?
The molecular formula of 2-(Hydroxymethyl)-5-nitrobenzeneboronic acid dehydrate is C7H6BNO4.
What is the molecular weight of 2-(Hydroxymethyl)-5-nitrobenzeneboronic acid dehydrate?
The molecular weight of 2-(Hydroxymethyl)-5-nitrobenzeneboronic acid dehydrate is 179.03899 g/mol.
Where can I buy 2-(Hydroxymethyl)-5-nitrobenzeneboronic acid dehydrate?
You can request a quote for 2-(Hydroxymethyl)-5-nitrobenzeneboronic acid dehydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Hydroxymethyl)-5-nitrobenzeneboronic acid dehydrate?
Yes, CoreyChem provides custom synthesis services for 2-(Hydroxymethyl)-5-nitrobenzeneboronic acid dehydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.