| CAS Number | 23039-06-7 |
| Catalog Number | AG00BHDR(AGN-PC-001RT8) |
| Chemical Name | 2-Fluoroisophthalonitrile |
| IUPAC Name | 2-fluorobenzene-1,3-dicarbonitrile |
| InChI | InChI=1S/C8H3FN2/c9-8-6(4-10)2-1-3-7(8)5-11/h1-3H |
| InChI Key | IFPAXLQMTRSDNM-UHFFFAOYSA-N |
| MDL Number | MFCD00042247 |
| Molecular Formula | C8H3FN2 |
| Molecular Weight | 146.1212 |
| SMILES | FC1=C(C=CC=C1C#N)C#N |
| Synonyms | 2-fluoroisophthalonitrile,
23039-06-7,
2-Fluorobenzene-1,3-dicarbonitrile,
2,6-Dicyanofluorobenzene,
SCHEMBL1533157,
MFCD00042247,
ZINC34317434,
AKOS027355009,
AS-0184,
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| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.124g/mol |
| Monoisotopic Mass | 146.028g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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