| CAS Number | 1250411-83-6 |
| Catalog Number | AG01FWJR(AGN-PC-0WQUBL) |
| Chemical Name | 1,3-Benzenedicarbonitrile, 5-bromo-2-fluoro- |
| IUPAC Name | 5-bromo-2-fluorobenzene-1,3-dicarbonitrile |
| InChI | InChI=1S/C8H2BrFN2/c9-7-1-5(3-11)8(10)6(2-7)4-12/h1-2H |
| InChI Key | PKJMCNWVFGYQRW-UHFFFAOYSA-N |
| MDL Number | MFCD28141754 |
| Molecular Formula | C8H2BrFN2 |
| Molecular Weight | 225.0173 |
| SMILES | N#CC1=CC(Br)=CC(C#N)=C1F |
| Synonyms | 5-Bromo-2-fluoroisophthalonitrile,
1250411-83-6,
SCHEMBL16098127,
PKJMCNWVFGYQRW-UHFFFAOYSA-N,
ZINC222374426,
CS-16242,
CS-0094242,
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| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.93854g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.02g/mol |
| Monoisotopic Mass | 223.93854g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 47.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number