| CAS Number | 1260741-40-9 |
| Catalog Number | AG01BVAG(AGN-PC-0WNP57) |
| Chemical Name | 3-Bromo-2-Fluoro-5-Methylbenzonitrile |
| IUPAC Name | 3-bromo-2-fluoro-5-methylbenzonitrile |
| InChI | InChI=1S/C8H5BrFN/c1-5-2-6(4-11)8(10)7(9)3-5/h2-3H,1H3 |
| InChI Key | KPGJEXZQSFSJNZ-UHFFFAOYSA-N |
| MDL Number | MFCD12756720 |
| Molecular Formula | C8H5BrFN |
| Molecular Weight | 214.0344 |
| SMILES | CC1=CC(=C(C(=C1)Br)F)C#N |
| Synonyms | 1260741-40-9,
3-Bromo-2-fluoro-5-methyl-benzonitrile,
3-bromo-2-fluoro-5-methylbenzonitrile,
SCHEMBL17185578,
MFCD12756720,
AKOS026671776,
ZINC238457398,
Z2692095183,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.037g/mol |
| Monoisotopic Mass | 212.959g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number