| CAS Number | 175596-02-8 |
| Catalog Number | AG01DKWW(AGN-PC-03ODCX) |
| Chemical Name | 4-Cyano-2-fluorobenzoyl chloride |
| IUPAC Name | 4-cyano-2-fluorobenzoyl chloride |
| InChI | InChI=1S/C8H3ClFNO/c9-8(12)6-2-1-5(4-11)3-7(6)10/h1-3H |
| InChI Key | WUFOPFHPVDSXHL-UHFFFAOYSA-N |
| MDL Number | MFCD12025227 |
| Molecular Formula | C8H3ClFNO |
| Molecular Weight | 183.5669 |
| SMILES | FC1=C(C(Cl)=O)C=CC(C#N)=C1 |
| Synonyms | 4-cyano-2-fluorobenzoyl chloride,
175596-02-8,
SCHEMBL646582,
4-cyano-2-fluoro-bezoyl chloride,
WUFOPFHPVDSXHL-UHFFFAOYSA-N,
4-cyano-2-fluoro benzoyl chloride,
4-cyano-2-fluoro-benzoyl chloride,
Benzoyl chloride,4-cyano-2-fluoro-,
MFCD12025227,
Benzoyl chloride, 4-cyano-2-fluoro-,
AKOS027252473,
ZINC114308016,
AS-37408,
8-METHYL-1-OXASPIRO[4.5]DECAN-2-ONE,
181074-22-6,
|
| Complexity | 235 |
| 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 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number