| CAS Number | 720000-48-6 |
| Catalog Number | AG01AFZU |
| Chemical Name | 2-(5-chloro-1H-indol-2-yl)acetic acid |
| IUPAC Name | 2-(5-chloro-1H-indol-2-yl)acetic acid |
| InChI | InChI=1S/C10H8ClNO2/c11-7-1-2-9-6(3-7)4-8(12-9)5-10(13)14/h1-4,12H,5H2,(H,13,14) |
| InChI Key | AKEXCWHQCBKPQG-UHFFFAOYSA-N |
| MDL Number | MFCD10035312 |
| Molecular Formula | C10H8ClNO2 |
| Molecular Weight | 209.6290 |
| SMILES | OC(CC1NC2=C(C=C(C=C2)Cl)C=1)=O |
| Synonyms | 2-(5-chloro-1H-indol-2-yl)acetic acid,
720000-48-6,
SCHEMBL5097277,
AKEXCWHQCBKPQG-UHFFFAOYSA-N,
ZINC20269256,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.629g/mol |
| Monoisotopic Mass | 209.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number