| CAS Number | 937040-33-0 |
| Catalog Number | AG01BE1M |
| Chemical Name | 2-Chloro-6-fluoro-3-formylbenzonitrile |
| IUPAC Name | 2-chloro-6-fluoro-3-formylbenzonitrile |
| InChI | InChI=1S/C8H3ClFNO/c9-8-5(4-12)1-2-7(10)6(8)3-11/h1-2,4H |
| InChI Key | LNONKHLXRPKMEX-UHFFFAOYSA-N |
| MDL Number | MFCD24686248 |
| Molecular Formula | C8H3ClFNO |
| Molecular Weight | 183.5669 |
| SMILES | FC1=C(C#N)C(Cl)=C(C=O)C=C1 |
| Synonyms | 2-chloro-6-fluoro-3-formylbenzonitrile,
937040-33-0,
2-chloro-6-fluoro-3-formyl-benzonitrile,
SCHEMBL4695302,
LNONKHLXRPKMEX-UHFFFAOYSA-N,
ZINC98095521,
NE23716,
AS-44127,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.566g/mol |
| Monoisotopic Mass | 182.989g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number