| CAS Number | 919295-79-7 |
| Catalog Number | AG006JS0(AGN-PC-00T12A) |
| Chemical Name | ethyl 2-(6-bromo-1H-indol-3-yl)acetate |
| IUPAC Name | ethyl 2-(6-bromo-1H-indol-3-yl)acetate |
| InChI | InChI=1S/C12H12BrNO2/c1-2-16-12(15)5-8-7-14-11-6-9(13)3-4-10(8)11/h3-4,6-7,14H,2,5H2,1H3 |
| InChI Key | DBEHTVLBNORKMZ-UHFFFAOYSA-N |
| MDL Number | MFCD12912004 |
| Molecular Formula | C12H12BrNO2 |
| Molecular Weight | 282.1332 |
| SMILES | CCOC(CC1C2=C(C=C(C=C2)Br)NC=1)=O |
| Synonyms | 919295-79-7,
ethyl 2-(6-bromo-1H-indol-3-yl)acetate,
1H-Indole-3-acetic acid, 6-bromo-, ethyl ester,
Ethyl 6-Bromoindole-3-acetate,
Ethyl (6-bromo-1H-indol-3-yl)acetate,
SCHEMBL4261621,
CTK3H3783,
DTXSID50582745,
DBEHTVLBNORKMZ-UHFFFAOYSA-N,
ZINC35086856,
AKOS024175113,
MCULE-7404958214,
NE36659,
SY058559,
MFCD12912004 (95%),
(6-Bromo-1H-indol-3-yl)-acetic acid ethyl ester,
Z1436181471,
6-bromo-1H-Indole-3-acetic acid ethyl ester,
|
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.137g/mol |
| Monoisotopic Mass | 281.005g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number