| CAS Number | 1421620-33-8 |
| Catalog Number | AG01FD3X(AGN-PC-3H49OA) |
| Chemical Name | 3-Bromo-2-chloro-6-fluorobenzonitrile |
| IUPAC Name | 3-bromo-2-chloro-6-fluorobenzonitrile |
| InChI | InChI=1S/C7H2BrClFN/c8-5-1-2-6(10)4(3-11)7(5)9/h1-2H |
| InChI Key | ODUWWKCYNUBYRT-UHFFFAOYSA-N |
| MDL Number | MFCD28348546 |
| Molecular Formula | C7H2BrClFN |
| Molecular Weight | 234.4529 |
| SMILES | BrC=1C(=C(C#N)C(=CC1)F)Cl |
| Synonyms | 3-bromo-2-chloro-6-fluorobenzonitrile,
1421620-33-8,
SCHEMBL14661241,
ODUWWKCYNUBYRT-UHFFFAOYSA-N,
ZINC146584715,
FCH3862570,
PC501258,
CS-0088190,
|
| 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
Certificate of Analysis
Lot Number