| CAS Number | 69857-37-0 |
| Catalog Number | AG003HBB(AGN-PC-02JIWB) |
| Chemical Name | 2-Fluoro-7,7,8,8-tetracyanoquinodimethane |
| IUPAC Name | 2-[4-(dicyanomethylidene)-3-fluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile |
| InChI | InChI=1S/C12H3FN4/c13-12-3-8(9(4-14)5-15)1-2-11(12)10(6-16)7-17/h1-3H |
| InChI Key | BXPLEMMFZOKIHP-UHFFFAOYSA-N |
| MDL Number | MFCD08276377 |
| Molecular Formula | C12H3FN4 |
| Molecular Weight | 222.1774 |
| SMILES | FC(C1=C(C#N)C#N)=CC(C=C1)=C(C#N)C#N |
| Synonyms | 2-Fluoro-7,7,8,8-tetracyanoquinodimethane,
69857-37-0,
FTCNQ,
SCHEMBL259147,
2-Fluorotetracyanoquinodimethane,
DTXSID30599533,
MFCD08276377,
ZINC44069297,
F0509,
2,2'-(2-Fluorocyclohexa-2,5-diene-1,4-diylidene)dipropanedinitrile,
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| Complexity | 659 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.182g/mol |
| Monoisotopic Mass | 222.034g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 95.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number