TL;DR: (2-Chloro-4-nitrobenzoyl)glycine (CAS 124894-95-7) is a chemical compound with molecular formula C9H7ClN2O5 and molecular weight 258.00436 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-chloro-4-nitrobenzoyl)amino]acetic acid
Also Known As: (2-Chloro-4-nitrobenzoyl)glycine, BAS 00901009, (2-Chloro-4-nitro-benzoylamino)-acetic acid, 2-[(2-chloro-4-nitrobenzoyl)amino]acetic acid
| Molecular Formula | C9H7ClN2O5 |
| Molecular Weight | 258.00436 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.00436 Da |
| Heavy Atoms | 17 |
| Complexity | 330.0 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)NCC(=O)O |
| InChIKey | SUHXEOJZYTYACV-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Chloro-4-nitrobenzoyl)glycine. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Chloro-4-nitrobenzoyl)glycine. Following Lipinski's Rule of Five, (2-Chloro-4-nitrobenzoyl)glycine has 2 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 (2-Chloro-4-nitrobenzoyl)glycine is 124894-95-7.
The molecular formula of (2-Chloro-4-nitrobenzoyl)glycine is C9H7ClN2O5.
The molecular weight of (2-Chloro-4-nitrobenzoyl)glycine is 258.00436 g/mol.
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