| CAS Number | 108847-96-7 |
| Catalog Number | AG008XKO(AGN-PC-0WBOJC) |
| Chemical Name | 5-Bromo-6-chloroindolyl 1,3-diacetate |
| IUPAC Name | (1-acetyl-5-bromo-6-chloroindol-3-yl) acetate |
| InChI | InChI=1S/C12H9BrClNO3/c1-6(16)15-5-12(18-7(2)17)8-3-9(13)10(14)4-11(8)15/h3-5H,1-2H3 |
| InChI Key | QOSOMKUVYQFRDU-UHFFFAOYSA-N |
| MDL Number | MFCD06797509 |
| Molecular Formula | C12H9BrClNO3 |
| Molecular Weight | 330.5618 |
| SMILES | CC(=O)Oc1cn(C(C)=O)c2cc(Cl)c(Br)cc12 |
| Synonyms | 108847-96-7,
1-Acetyl-5-bromo-6-chloro-1H-indol-3-yl acetate,
5-Bromo-6-chloro-3-indoxyl-1,3-diacetate,
BIMB1194,
ZX-AFC000331,
MFCD06797509,
ZINC15020095,
AKOS025395912,
5-Bromo-6-chloroindolyl 1,3-diacetate,
5-Bromo-6-chloroindolyl-1,3-diacetate,
AK173301,
N-Acetyl-5-bromo-6-chloroindol-3-yl acetate,
K-0620,
(1-acetyl-5-bromo-6-chloroindol-3-yl) acetate,
Acetic acid 1-acetyl-5-bromo-6-chloro-1H-indole-3-yl ester,
N-Acetyl-5-bromo-6-chloro-indole-3-acetate, 97% - 1G 1g,
|
| Complexity | 365 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.562g/mol |
| Monoisotopic Mass | 328.945g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 48.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number