QXO
Summary
Name: | 2-(6-fluoranylindol-1-yl)ethanoic acid |
Synonyms: | 2-(6-fluoro-1H-indol-1-yl)acetic acid |
Formula: | C10 H8 F N O2 |
Formal charge: | 0 |
Formula weight: | 193.174 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 2-(6-fluoranylindol-1-yl)ethanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C10H8FNO2/c11-8-2-1-7-3-4-12(6-10(13)14)9(7)5-8/h1-5H,6H2,(H,13,14) |
InChIKey | InChI | 1.06 | UVPVRQIYZWPBEJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cn1ccc2ccc(F)cc12 |
SMILES | CACTVS | 3.385 | OC(=O)Cn1ccc2ccc(F)cc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc2c1ccn2CC(=O)O)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc2c1ccn2CC(=O)O)F |