| CAS Number | 1250444-23-5 |
| Catalog Number | AG00HHVW(AGN-PC-0WOLR0) |
| Chemical Name | 3-Bromo-2,6-difluorobenzonitrile |
| IUPAC Name | 3-bromo-2,6-difluorobenzonitrile |
| InChI | InChI=1S/C7H2BrF2N/c8-5-1-2-6(9)4(3-11)7(5)10/h1-2H |
| InChI Key | IORVOBJVFPHSKR-UHFFFAOYSA-N |
| MDL Number | MFCD16987589 |
| Molecular Formula | C7H2BrF2N |
| Molecular Weight | 217.9983 |
| SMILES | C1=C(C(=C(C#N)C(=C1)F)F)Br |
| Synonyms | 3-Bromo-2,6-difluorobenzonitrile,
1250444-23-5,
SCHEMBL2729265,
IORVOBJVFPHSKR-UHFFFAOYSA-N,
MFCD16987589,
ZINC71792184,
AKOS023098190,
FCH1349005,
AK411634,
DS-18697,
PC501863,
CS-0087931,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.934g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.001g/mol |
| Monoisotopic Mass | 216.934g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number