| CAS Number | 892255-06-0 |
| Catalog Number | AG01A2EZ |
| Chemical Name | 1-[2-(2-chlorophenoxy)ethyl]-1H-indole-3-carboxylic acid |
| IUPAC Name | 1-[2-(2-chlorophenoxy)ethyl]indole-3-carboxylic acid |
| InChI | InChI=1S/C17H14ClNO3/c18-14-6-2-4-8-16(14)22-10-9-19-11-13(17(20)21)12-5-1-3-7-15(12)19/h1-8,11H,9-10H2,(H,20,21) |
| InChI Key | LHJOKCMLJJDHIM-UHFFFAOYSA-N |
| MDL Number | MFCD14713035 |
| Molecular Formula | C17H14ClNO3 |
| Molecular Weight | 315.7510 |
| SMILES | OC(C1C2=C(C=CC=C2)N(CCOC2=C(Cl)C=CC=C2)C=1)=O |
| Synonyms | 1-[2-(2-chlorophenoxy)ethyl]-1H-indole-3-carboxylic acid,
892255-06-0,
MLS000689788,
CHEMBL1456424,
HMS2626B21,
ZINC6721553,
AKOS001732754,
CCG-122784,
MCULE-8701918935,
NE45557,
SMR000313392,
Z57912664,
|
| Complexity | 392 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.753g/mol |
| Monoisotopic Mass | 315.066g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 51.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number