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Summary
Name: | 1-iodo-3-methylbenzene |
Synonyms: | 3-iodotoluene |
Formula: | C7 H7 I |
Formal charge: | 0 |
Formula weight: | 218.035 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 1-iodo-3-methylbenzene |
OpenEye OEToolkits | 2.0.7 | 1-iodanyl-3-methyl-benzene |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1cc(ccc1)I |
InChI | InChI | 1.03 | InChI=1S/C7H7I/c1-6-3-2-4-7(8)5-6/h2-5H,1H3 |
InChIKey | InChI | 1.03 | VLCPISYURGTGLP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(I)c1 |
SMILES | CACTVS | 3.385 | Cc1cccc(I)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)I |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)I |