| CAS Number | 1000577-76-3 |
| Catalog Number | AG0091SN(AGN-PC-0WOLAU) |
| Chemical Name | 5-Bromo-3-chloro-2-fluorobenzonitrile |
| IUPAC Name | 5-bromo-3-chloro-2-fluorobenzonitrile |
| InChI | InChI=1S/C7H2BrClFN/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2H |
| InChI Key | CFAJQDDAWJDDIX-UHFFFAOYSA-N |
| MDL Number | MFCD09800811 |
| Molecular Formula | C7H2BrClFN |
| Molecular Weight | 234.4529 |
| SMILES | c1c(cc(c(c1C#N)F)Cl)Br |
| Synonyms | 5-bromo-3-chloro-2-fluoroBenzonitrile,
1000577-76-3,
3-Bromo-5-chloro-6-fluorobenzonitrile,
SCHEMBL9948817,
CFAJQDDAWJDDIX-UHFFFAOYSA-N,
MFCD09800811,
ZINC15443833,
AKOS023098191,
FCH1393435,
FS-6140,
5-Bromo-3-chloro-2-fluoro-benzonitrile,
AK315645,
DB-058266,
FT-0715045,
|
| 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