| CAS Number | 1240113-42-1 |
| Catalog Number | AG000LEC(AGN-PC-0WCKM9) |
| Chemical Name | 1H-Indole-5-carbonitrile, 4-fluoro- |
| IUPAC Name | 4-fluoro-1H-indole-5-carbonitrile |
| InChI | InChI=1S/C9H5FN2/c10-9-6(5-11)1-2-8-7(9)3-4-12-8/h1-4,12H |
| InChI Key | MNWGXZUQFYDSGV-UHFFFAOYSA-N |
| MDL Number | MFCD20687921 |
| Molecular Formula | C9H5FN2 |
| Molecular Weight | 160.1478 |
| SMILES | FC1=C2C=CNC2=CC=C1C#N |
| Synonyms | 4-fluoro-1H-indole-5-carbonitrile,
1240113-42-1,
1H-Indole-5-carbonitrile, 4-fluoro-,
SCHEMBL3709074,
KS-000004DL,
1h-indole-5-carbonitrile,4-fluoro-,
MFCD20687921,
ZINC83269378,
SB11422,
AS-51513,
CS-0050861,
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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 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number