| CAS Number | 521276-41-5 |
| Catalog Number | AG00DIZK(AGN-PC-05VAA8) |
| Chemical Name | Ethyl 3-bromo-1-methyl-1H-indole-2-carboxylate |
| IUPAC Name | ethyl 3-bromo-1-methylindole-2-carboxylate |
| InChI | InChI=1S/C12H12BrNO2/c1-3-16-12(15)11-10(13)8-6-4-5-7-9(8)14(11)2/h4-7H,3H2,1-2H3 |
| InChI Key | HGXAKECCOMBDMD-UHFFFAOYSA-N |
| MDL Number | MFCD11840987 |
| Molecular Formula | C12H12BrNO2 |
| Molecular Weight | 282.1332 |
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2N1C)Br |
| Synonyms | ethyl 3-bromo-1-methyl-1H-indole-2-carboxylate,
521276-41-5,
A1-00318,
CTK6F5146,
DTXSID20653895,
4848AE,
MFCD11840987,
ZINC32911358,
AKOS005071720,
AD-5003,
MCULE-2610063604,
RP15530,
KS-0000220R,
3-bromo-2-ethoxycarbonyl-1-methylindole,
AJ-85550,
ethyl 3-bromo-1-methylindole-2-carboxylate,
TR-064267,
1H-Indole-2-carboxylic acid, 3-bromo-1-methyl-, ethyl ester,
C12H12BrNO2,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.137g/mol |
| Monoisotopic Mass | 281.005g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 31.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number