| CAS Number | 1221792-00-2 |
| Catalog Number | AG00ITNH(AGN-PC-0WB2E8) |
| Chemical Name | 6-Bromo-2-chloro-1H-indole-3-carbaldehyde |
| IUPAC Name | 6-bromo-2-chloro-1H-indole-3-carbaldehyde |
| InChI | InChI=1S/C9H5BrClNO/c10-5-1-2-6-7(4-13)9(11)12-8(6)3-5/h1-4,12H |
| InChI Key | PCWHDYUIBRZNGM-UHFFFAOYSA-N |
| MDL Number | MFCD01415811 |
| Molecular Formula | C9H5BrClNO |
| Molecular Weight | 258.4991 |
| SMILES | [Br]C2(=CC=1(NC(Cl)=C(C=1C=C2)C=O)) |
| Synonyms | 6-Bromo-2-chloro-1H-indole-3-carbaldehyde,
1221792-00-2,
CTK7H8091,
KS-000029QJ,
ZX-AT013101,
MFCD01415811,
SBB102066,
ZINC43828191,
6-bromo-2-chloroindole-3-carbaldehyde,
AKOS005073614,
6-Bromo-2-chloro-3-formyl-1H-indole,
FCH1328093,
ND-0065,
OR18051,
RP14647,
AJ-109007,
TR-070906,
6-broManyl-2-chloranyl-1H-indole-3-carbaldehyde,
|
| 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 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number