| CAS Number | 726174-45-4 |
| Catalog Number | AG00ICAH(AGN-PC-0WOJ3C) |
| Chemical Name | 5-Bromo-1-indoleacetic acid ethyl ester |
| IUPAC Name | ethyl 2-(5-bromoindol-1-yl)acetate |
| InChI | InChI=1S/C12H12BrNO2/c1-2-16-12(15)8-14-6-5-9-7-10(13)3-4-11(9)14/h3-7H,2,8H2,1H3 |
| InChI Key | ASRCALVKWKRKTR-UHFFFAOYSA-N |
| MDL Number | MFCD11205770 |
| Molecular Formula | C12H12BrNO2 |
| Molecular Weight | 282.1332 |
| SMILES | CCOC(=O)Cn1ccc2c1ccc(c2)Br |
| Synonyms | 726174-45-4,
(5-BROMO-1H-INDOL-1-YL)-ACETIC ACID ETHYL ESTER,
1H-Indole-1-acetic acid, 5-bromo-, ethyl ester,
SCHEMBL4485443,
ASRCALVKWKRKTR-UHFFFAOYSA-N,
MFCD11205770,
ZINC33426809,
AKOS009321385,
Ethyl (5-bromo-1H-indol-1-yl)acetate,
5-Bromo-1-indoleacetic acid ethyl ester,
(5-Bromo-indol-1-yl)-acetic acid ethyl ester,
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| Complexity | 259 |
| 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 | 4 |
| Topological Polar Surface Area | 31.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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