| CAS Number | 376348-75-3 |
| Catalog Number | AG00CS8O(AGN-PC-0211FE) |
| Chemical Name | Cyclohexanecarbonyl chloride, 4,4-difluoro- (9CI) |
| IUPAC Name | 4,4-difluorocyclohexane-1-carbonyl chloride |
| InChI | InChI=1S/C7H9ClF2O/c8-6(11)5-1-3-7(9,10)4-2-5/h5H,1-4H2 |
| InChI Key | PJWULPCWPCVQKD-UHFFFAOYSA-N |
| MDL Number | MFCD13173983 |
| Molecular Formula | C7H9ClF2O |
| Molecular Weight | 182.5956 |
| SMILES | C1CC(CCC1C(=O)Cl)(F)F |
| Synonyms | 376348-75-3,
4,4-difluorocyclohexane-1-carbonyl chloride,
4,4-Difluorocyclohexanecarbonyl chloride,
4,4-DIFLUORO-CYCLOHEXANECARBONYL CHLORIDE,
Cyclohexanecarbonyl chloride, 4,4-difluoro- (9CI),
SCHEMBL167272,
CTK8I4794,
DTXSID40595985,
PJWULPCWPCVQKD-UHFFFAOYSA-N,
ZINC39056589,
AKOS017514991,
NE39942,
4,4-difluorocyclohexane carboxylic acid chloride,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.595g/mol |
| Monoisotopic Mass | 182.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number