| CAS Number | 156695-44-2 |
| Catalog Number | AG00AX3K |
| Chemical Name | 2-(5-Bromo-1H-indol-3-yl)-2-oxoacetic acid |
| IUPAC Name | 2-(5-bromo-1H-indol-3-yl)-2-oxoacetic acid |
| InChI | InChI=1S/C10H6BrNO3/c11-5-1-2-8-6(3-5)7(4-12-8)9(13)10(14)15/h1-4,12H,(H,14,15) |
| InChI Key | GIQPNJXICXOHSG-UHFFFAOYSA-N |
| MDL Number | MFCD09909340 |
| Molecular Formula | C10H6BrNO3 |
| Molecular Weight | 268.0635 |
| SMILES | BrC=1C=C2C(=CNC2=CC1)C(C(=O)O)=O |
| Synonyms | 156695-44-2,
2-(5-bromo-1H-indol-3-yl)-2-oxoacetic acid,
2-(5-Bromo-3-indolyl)-2-oxoacetic Acid,
SCHEMBL1557691,
CTK8H1010,
DTXSID90451406,
MFCD09909340,
ZINC36925215,
AKOS009322636,
CS-12442,
SC-61872,
SY058595,
MFCD09909340 (95%),
1H-INDOLE-3-ACETIC ACID,5-BROMO-|A-OXO-,,
CID11000034,
2-(5-bromo-1H-indol-3-yl)-2-oxo-acetic Acid,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.066g/mol |
| Monoisotopic Mass | 266.953g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number