| CAS Number | 1227496-31-2 |
| Catalog Number | AG000JA2(AGN-PC-0WBRAD) |
| Chemical Name | 1H-Indole-3-carboxaldehyde, 5-bromo-6-fluoro- |
| IUPAC Name | 5-bromo-6-fluoro-1H-indole-3-carbaldehyde |
| InChI | InChI=1S/C9H5BrFNO/c10-7-1-6-5(4-13)3-12-9(6)2-8(7)11/h1-4,12H |
| InChI Key | HWPRCHLVMBMXDO-UHFFFAOYSA-N |
| MDL Number | MFCD16609947 |
| Molecular Formula | C9H5BrFNO |
| Molecular Weight | 242.0445 |
| SMILES | O=CC1=CNC2=C1C=C(Br)C(F)=C2 |
| Synonyms | 5-Bromo-6-fluoro-1H-indole-3-carbaldehyde,
1227496-31-2,
1H-Indole-3-carboxaldehyde, 5-bromo-6-fluoro-,
SCHEMBL15301786,
HWPRCHLVMBMXDO-UHFFFAOYSA-N,
KS-000005VQ,
MFCD16609947,
ZINC95933583,
AKOS022186186,
FCH1344355,
SB15083,
5-Bromo-6-fluoroindole-3-carboxaldehyde,
AK144448,
AS-51085,
AJ-138114,
CS-0050578,
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| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.047g/mol |
| Monoisotopic Mass | 240.954g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number