| CAS Number | 1211593-30-4 |
| Catalog Number | AG00HFZR(AGN-PC-0WCYLF) |
| Chemical Name | 6-Bromo-5-fluoro-1H-indole-3-carbonitrile |
| IUPAC Name | 6-bromo-5-fluoro-1H-indole-3-carbonitrile |
| InChI | InChI=1S/C9H4BrFN2/c10-7-2-9-6(1-8(7)11)5(3-12)4-13-9/h1-2,4,13H |
| InChI Key | HQQFKUFAZVTFQV-UHFFFAOYSA-N |
| MDL Number | MFCD11109591 |
| Molecular Formula | C9H4BrFN2 |
| Molecular Weight | 239.0439 |
| SMILES | FC1=C(Br)C=C2NC=C(C#N)C2=C1 |
| Synonyms | 6-BROMO-5-FLUORO-1H-INDOLE-3-CARBONITRILE,
6-BROMO-3-CYANO-5-FLUORO-1H-INDOLE,
1211593-30-4,
SCHEMBL578993,
CTK7C6932,
HQQFKUFAZVTFQV-UHFFFAOYSA-N,
MFCD11109591,
ZINC66054854,
AKOS027328798,
FCH1402544,
AS-35905,
AX8266555,
X-2872,
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| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.047g/mol |
| Monoisotopic Mass | 237.954g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 39.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number