| CAS Number | 16381-40-1 |
| Catalog Number | AG01C1OA |
| Chemical Name | ethyl 7-chloro-3-methyl-1H-indole-2-carboxylate |
| IUPAC Name | ethyl 7-chloro-3-methyl-1H-indole-2-carboxylate |
| InChI | InChI=1S/C12H12ClNO2/c1-3-16-12(15)10-7(2)8-5-4-6-9(13)11(8)14-10/h4-6,14H,3H2,1-2H3 |
| InChI Key | KHZORAQABAAJOK-UHFFFAOYSA-N |
| MDL Number | MFCD03672974 |
| Molecular Formula | C12H12ClNO2 |
| Molecular Weight | 237.6822 |
| SMILES | ClC=1C=CC=C2C(=C(NC12)C(=O)OCC)C |
| Synonyms | ethyl 7-chloro-3-methyl-1H-indole-2-carboxylate,
16381-40-1,
CID950683,
ZINC00553199,
AC1LI9WO,
SCHEMBL4090248,
KHZORAQABAAJOK-UHFFFAOYSA-N,
ZINC553199,
STK549551,
AKOS005477069,
MCULE-5106007081,
C12H12ClNO2,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.683g/mol |
| Monoisotopic Mass | 237.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number