| CAS Number | 57916-08-2 |
| Catalog Number | AG00EJAX |
| Chemical Name | 3-Chloro-6-Bromo Indole |
| IUPAC Name | 6-bromo-3-chloro-1H-indole |
| InChI | InChI=1S/C8H5BrClN/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-4,11H |
| InChI Key | HNAPHNHPMKKVKB-UHFFFAOYSA-N |
| MDL Number | MFCD09834125 |
| Molecular Formula | C8H5BrClN |
| Molecular Weight | 230.4890 |
| SMILES | BrC1=CC=C2C(=CNC2=C1)Cl |
| Synonyms | 6-bromo-3-chloro-1H-indole,
57916-08-2,
3-CHLORO-6-BROMO INDOLE,
6-bromo-3-chloroindole,
SCHEMBL14158708,
DTXSID10483320,
HNAPHNHPMKKVKB-UHFFFAOYSA-N,
MFCD09834125,
AKOS017553234,
QC-8049,
AB0097113,
CS-0029649,
W-4245,
3-CHLORO-6-BROMOINDOLE,
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| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.929g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.489g/mol |
| Monoisotopic Mass | 228.929g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 15.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number