| CAS Number | 1779854-93-1 |
| Catalog Number | AG01EUE2(AGN-PC-3H47IC) |
| Chemical Name | 1-Chloro-3-(difluoromethyl)benzene |
| IUPAC Name | 1-chloro-3-(difluoromethyl)benzene |
| InChI | InChI=1S/C7H5ClF2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,7H |
| InChI Key | BSRPZLOXCYLPKK-UHFFFAOYSA-N |
| MDL Number | MFCD28396348 |
| Molecular Formula | C7H5ClF2 |
| Molecular Weight | 162.5644 |
| SMILES | ClC1=CC(=CC=C1)C(F)F |
| Synonyms | 1-chloro-3-(difluoromethyl)benzene,
1779854-93-1,
SCHEMBL16961808,
ZINC145846839,
|
| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.004784g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.56g/mol |
| Monoisotopic Mass | 162.004784g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number