Methyl 4-iodo-3-nitrobenzoate
methyl 4-iodo-3-nitrobenzoate
Also Known As: methyl 4-iodo-3-nitrobenzoate|ACMC-20af7x|methyl 4-iodo-3-nitro-benzoate|methyl-4-iodo-3-nitrobenzoate|METHYL4-IODO-3-NITROBENZOATE|KS-00000OBU|4-Iodo-3-nitrobenzoic acid methyl ester|4-iodo-3-nitro benzoic methyl ester|Benzoic acid, 4-iodo-3-nitro-, methyl ester|CS-W019526|3-Nitro-4-iodobenzoic acid methyl ester|Benzoic acid,4-iodo-3-nitro-, methyl ester|4-iodo-3-nitro-benzoic acid methyl ester|M-5393|NSC169203, CID297884, ZINC01678315, 89976-27-2|677-275-4
| Molecular Formula | C8H6INO4 |
|---|---|
| Molecular Weight | 306.93417 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.93417 |
| Monoisotopic Mass | 306.93417 |
| Heavy Atoms | 14 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 89976-27-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)I)[N+](=O)[O-] |
| InChIKey | SCMBIQRYVKITCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-iodo-3-nitrobenzoate (CAS 89976-27-2), with molecular formula C8H6INO4 and molecular weight 306.93417 g/mol. IUPAC: methyl 4-iodo-3-nitrobenzoate.