TL;DR: NAPHTHO(2,1-b)FURAN-7-CARBOXYLIC ACID, 2-NITRO- (CAS 92262-80-1) is a chemical compound with molecular formula C13H7NO5 and molecular weight 257.0324 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-nitrobenzo[e][1]benzofuran-7-carboxylic acid
Also Known As: R 7452, 2-Nitronaphtho(2,1-b)furan-7-carboxylic acid, NAPHTHO(2,1-b)FURAN-7-CARBOXYLIC ACID, 2-NITRO-, 2-nitronaphtho[2,1-b]furan-7-carboxylic acid, 2-nitrobenzo[e][1]benzofuran-7-carboxylic acid
| Molecular Formula | C13H7NO5 |
| Molecular Weight | 257.0324 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 96.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.0324 Da |
| Heavy Atoms | 19 |
| Complexity | 393.0 |
| SMILES | C1=CC2=C(C=CC3=C2C=C(O3)[N+](=O)[O-])C=C1C(=O)O |
| InChIKey | WQZZTJHTXTZZOR-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that NAPHTHO(2,1-b)FURAN-7-CARBOXYLIC ACID, 2-NITRO- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for NAPHTHO(2,1-b)FURAN-7-CARBOXYLIC ACID, 2-NITRO-. Following Lipinski's Rule of Five, NAPHTHO(2,1-b)FURAN-7-CARBOXYLIC ACID, 2-NITRO- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of NAPHTHO(2,1-b)FURAN-7-CARBOXYLIC ACID, 2-NITRO- is 92262-80-1.
The molecular formula of NAPHTHO(2,1-b)FURAN-7-CARBOXYLIC ACID, 2-NITRO- is C13H7NO5.
The molecular weight of NAPHTHO(2,1-b)FURAN-7-CARBOXYLIC ACID, 2-NITRO- is 257.0324 g/mol.
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