| CAS Number | 91571-17-4 |
| Catalog Number | AG01DTKS |
| Chemical Name | 4-(2,6-dibromo-1H-indol-3-yl)butanoic acid |
| IUPAC Name | 4-(2,6-dibromo-1H-indol-3-yl)butanoic acid |
| InChI | InChI=1S/C12H11Br2NO2/c13-7-4-5-8-9(2-1-3-11(16)17)12(14)15-10(8)6-7/h4-6,15H,1-3H2,(H,16,17) |
| InChI Key | HKLILNGKZVGNPE-UHFFFAOYSA-N |
| MDL Number | MFCD00228738 |
| Molecular Formula | C12H11Br2NO2 |
| Molecular Weight | 361.0292 |
| SMILES | OC(=O)CCCc1c(Br)[nH]c2c1ccc(c2)Br |
| Synonyms | 4-(2,6-dibromo-1H-indol-3-yl)butanoic acid,
4-(2,6-dibromo-indol-3-yl)-butyric acid,
AC1Q75DH,
ZINC4532565,
91571-17-4,
CS-0059969,
4-(2-bromo-1H-indol-3-yl)butanoic acid,
91844-19-8,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 360.914g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 361.033g/mol |
| Monoisotopic Mass | 358.916g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number