| CAS Number | 217656-69-4 |
| Catalog Number | AG01FSKD(AGN-PC-0WOMML) |
| Chemical Name | 5-Bromo-4-chloro-1H-indole |
| IUPAC Name | 5-bromo-4-chloro-1H-indole |
| InChI | InChI=1S/C8H5BrClN/c9-6-1-2-7-5(8(6)10)3-4-11-7/h1-4,11H |
| InChI Key | JMHJTELEAIHBJT-UHFFFAOYSA-N |
| MDL Number | MFCD22628141 |
| Molecular Formula | C8H5BrClN |
| Molecular Weight | 230.4890 |
| SMILES | ClC1=C(Br)C=CC2=C1C=CN2 |
| Synonyms | 5-bromo-4-chloro-1H-indole,
217656-69-4,
1H-Indole, 5-bromo-4-chloro-,
5-bromo-4-chloroindole,
SCHEMBL1065531,
AKOS023645722,
ZINC115152227,
AK482229,
CS-16385,
CS-0096465,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.92939g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.49g/mol |
| Monoisotopic Mass | 228.92939g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 15.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number