BIP
Summary
| Name: | 2-BENZYL-3-IODOPROPANOIC ACID |
| Formula: | C10 H11 I O2 |
| Formal charge: | 0 |
| Formula weight: | 290.098 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-2-benzyl-3-iodopropanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-(iodomethyl)-3-phenyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(CI)Cc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)[C@H](CI)Cc1ccccc1 |
| SMILES | CACTVS | 3.341 | OC(=O)[CH](CI)Cc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C[C@@H](CI)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC(CI)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H11IO2/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | CRYXPGIJLMKFPX-VIFPVBQESA-N |
