| CAS Number | 188248-23-9 |
| Catalog Number | AG01DHC0(AGN-PC-0A8T5Q) |
| Chemical Name | ethyl 4-chloro-7-methyl-1H-indole-2-carboxylate |
| IUPAC Name | ethyl 4-chloro-7-methyl-1H-indole-2-carboxylate |
| InChI | InChI=1S/C12H12ClNO2/c1-3-16-12(15)10-6-8-9(13)5-4-7(2)11(8)14-10/h4-6,14H,3H2,1-2H3 |
| InChI Key | SMKZGGWPDJCDEF-UHFFFAOYSA-N |
| MDL Number | MFCD22556331 |
| Molecular Formula | C12H12ClNO2 |
| Molecular Weight | 237.6822 |
| SMILES | CCOC(=O)c1[nH]c2c(c1)c(Cl)ccc2C |
| Synonyms | Ethyl4-chloro-7-methyl-1H-indole-2-carboxylate,
188248-23-9,
SCHEMBL8318032,
SMKZGGWPDJCDEF-UHFFFAOYSA-N,
ethyl 4-chloro-7-methylindole-2-carboxylate,
ethyl 4-chloro-7-methyl-1H-indole-2-carboxylate,
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| 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
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Certificate of Analysis
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