| CAS Number | 72016-68-3 |
| Catalog Number | AG005ZY9(AGN-PC-0NAG15) |
| Chemical Name | Ethyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate |
| IUPAC Name | ethyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate |
| InChI | InChI=1S/C13H14BrNO2/c1-3-17-13(16)7-10-8(2)15-12-5-4-9(14)6-11(10)12/h4-6,15H,3,7H2,1-2H3 |
| InChI Key | GNAIWTYKMSIQQR-UHFFFAOYSA-N |
| MDL Number | MFCD08272278 |
| Molecular Formula | C13H14BrNO2 |
| Molecular Weight | 296.1598 |
| SMILES | O=C(OCC)CC1=C(C)NC2=C1C=C(Br)C=C2 |
| Synonyms | Ethyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate,
72016-68-3,
1H-Indole-3-acetic acid, 5-bromo-2-methyl-, ethyl ester,
ETHYL 5-BROMO-2-METHYL-3-INDOLEACETATE,
SCHEMBL5190391,
CTK2H3046,
DTXSID40444848,
GNAIWTYKMSIQQR-UHFFFAOYSA-N,
MFCD08272278,
ZINC37638090,
AS-36234,
5-bromo-2-methyl-1H-indole-3-acetic acid ethyl ester,
CID10780239,
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| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.164g/mol |
| Monoisotopic Mass | 295.021g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H317
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number