C4U
Summary
Name: | 1-chloranyl-3-methyl-benzene |
Synonyms: | 1-chloro-3-methylbenzene |
Formula: | C7 H7 Cl |
Formal charge: | 0 |
Formula weight: | 126.583 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 1-chloranyl-3-methyl-benzene |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3 |
InChIKey | InChI | 1.03 | OSOUNOBYRMOXQQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(Cl)c1 |
SMILES | CACTVS | 3.385 | Cc1cccc(Cl)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cccc(c1)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cccc(c1)Cl |