| CAS Number | 218797-72-9 |
| Catalog Number | AG01DNQK(AGN-PC-0WD6G2) |
| Chemical Name | 4-Bromo-2-Chloro-6-Fluorobenzonitrile |
| IUPAC Name | 4-bromo-2-chloro-6-fluorobenzonitrile |
| InChI | InChI=1S/C7H2BrClFN/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H |
| InChI Key | XNAXVVULCOGFOZ-UHFFFAOYSA-N |
| MDL Number | MFCD18917162 |
| Molecular Formula | C7H2BrClFN |
| Molecular Weight | 234.4529 |
| SMILES | BrC1=CC(=C(C#N)C(=C1)F)Cl |
| Synonyms | 4-Bromo-2-chloro-6-fluorobenzonitrile,
218797-72-9,
SCHEMBL18305809,
DTXSID80693217,
ZINC67802616,
2-Fluoro-4-bromo-6-chlorobenzonitrile,
FCH1348199,
FS-6618,
AX8276624,
DB-066652,
FT-0725947,
X3480,
C7H2BrClFN,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.904g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.452g/mol |
| Monoisotopic Mass | 232.904g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number