LT1
Summary
Name: | (3-chloropropyl)benzene |
Formula: | C9 H11 Cl |
Formal charge: | 0 |
Formula weight: | 154.637 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (3-chloropropyl)benzene |
OpenEye OEToolkits | 1.5.0 | 3-chloropropylbenzene |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | ClCCCc1ccccc1 |
SMILES_CANONICAL | CACTVS | 3.341 | ClCCCc1ccccc1 |
SMILES | CACTVS | 3.341 | ClCCCc1ccccc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCCCl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCCCl |
InChI | InChI | 1.03 | InChI=1S/C9H11Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2 |
InChIKey | InChI | 1.03 | XZBXAYCCBFTQHH-UHFFFAOYSA-N |