| CAS Number | 1485536-93-3 |
| Catalog Number | AG001L08(AGN-PC-0WCY4A) |
| Chemical Name | Benzonitrile, 2-(dibromomethyl)-4-fluoro- |
| IUPAC Name | 2-(dibromomethyl)-4-fluorobenzonitrile |
| InChI | InChI=1S/C8H4Br2FN/c9-8(10)7-3-6(11)2-1-5(7)4-12/h1-3,8H |
| InChI Key | PKNLXKYSCMYRIS-UHFFFAOYSA-N |
| MDL Number | MFCD28405050 |
| Molecular Formula | C8H4Br2FN |
| Molecular Weight | 292.9305 |
| SMILES | c1(ccc(c(c1)C(Br)Br)C#N)F |
| Synonyms | 2-(Dibromomethyl)-4-fluorobenzonitrile,
1485536-93-3,
MFCD28405050,
ZINC261508068,
FCH3769635,
AK200728,
Benzonitrile, 2-(dibromomethyl)-4-fluoro-,
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| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.867g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.933g/mol |
| Monoisotopic Mass | 290.869g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number