| CAS Number | 115666-32-5 |
| Catalog Number | AG019EM7(AGN-PC-0NYSNR) |
| Chemical Name | 4-Bromo-6-chloro-1H-indole-3-carbaldehyde |
| IUPAC Name | 4-bromo-6-chloro-1H-indole-3-carbaldehyde |
| InChI | InChI=1S/C9H5BrClNO/c10-7-1-6(11)2-8-9(7)5(4-13)3-12-8/h1-4,12H |
| InChI Key | OBKFQBZQBVTZNI-UHFFFAOYSA-N |
| MDL Number | MFCD28991942 |
| Molecular Formula | C9H5BrClNO |
| Molecular Weight | 258.4991 |
| SMILES | C1=C(C=C2C(=C1Br)C(=CN2)C=O)Cl |
| Synonyms | 4-Bromo-6-chloro-1H-indole-3-carbaldehyde,
115666-32-5,
MFCD28991942,
ZINC82315477,
CS-0038409,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.499g/mol |
| Monoisotopic Mass | 256.924g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number