| CAS Number | 17054-13-6 |
| Catalog Number | AG00ACXC(AGN-PC-0WANMW) |
| Chemical Name | 1-(Chlorodifluoromethyl)-2-fluorobenzene |
| IUPAC Name | 1-[chloro(difluoro)methyl]-2-fluorobenzene |
| InChI | InChI=1S/C7H4ClF3/c8-7(10,11)5-3-1-2-4-6(5)9/h1-4H |
| InChI Key | MAPGNFOESSJGBG-UHFFFAOYSA-N |
| MDL Number | MFCD14892602 |
| Molecular Formula | C7H4ClF3 |
| Molecular Weight | 180.5549 |
| SMILES | FC1=C(C=CC=C1)C(F)(F)Cl |
| Synonyms | 1-(Chlorodifluoromethyl)-2-fluorobenzene,
17054-13-6,
1-(CHLOROCIFLUOROMETHYL)-2-FLUOROBENZENE,
1-[Chloro(difluoro)methyl]-2-fluorobenzene,
SCHEMBL5668721,
DTXSID10623820,
ZX-AP003342,
MFCD14892602,
PC7047,
ZINC71790219,
AKOS024438263,
FCH1123135,
PS-10663,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.554g/mol |
| Monoisotopic Mass | 179.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number