| CAS Number | 1043601-53-1 |
| Catalog Number | AG0094VX(AGN-PC-0WCCPA) |
| Chemical Name | 6-Fluoro-1H-indole-3-carbonitrile |
| IUPAC Name | 6-fluoro-1H-indole-3-carbonitrile |
| InChI | InChI=1S/C9H5FN2/c10-7-1-2-8-6(4-11)5-12-9(8)3-7/h1-3,5,12H |
| InChI Key | YAQNAQXKZBUKRC-UHFFFAOYSA-N |
| MDL Number | MFCD12964694 |
| Molecular Formula | C9H5FN2 |
| Molecular Weight | 160.1478 |
| SMILES | N#CC1=CNC2=C1C=CC(F)=C2 |
| Synonyms | 6-FLUORO-1H-INDOLE-3-CARBONITRILE,
1043601-53-1,
1H-Indole-3-carbonitrile, 6-fluoro-,
SCHEMBL187169,
DTXSID80697437,
YAQNAQXKZBUKRC-UHFFFAOYSA-N,
0984AA,
MFCD12964694,
ZINC82587570,
AKOS016000762,
AM86164,
AS-46725,
AJ-125441,
C9H5FN2,
1011484-23-3,
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| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.151g/mol |
| Monoisotopic Mass | 160.044g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 39.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number