| CAS Number | 1214333-76-2 |
| Catalog Number | AG019CH4(AGN-PC-0WBRP2) |
| Chemical Name | 1-Chloro-4-(difluoromethyl)-2-fluorobenzene |
| IUPAC Name | 1-chloro-4-(difluoromethyl)-2-fluorobenzene |
| InChI | InChI=1S/C7H4ClF3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,7H |
| InChI Key | SOMCNJINLBUZFH-UHFFFAOYSA-N |
| MDL Number | MFCD14698548 |
| Molecular Formula | C7H4ClF3 |
| Molecular Weight | 180.5549 |
| SMILES | FC(c1ccc(c(c1)F)Cl)F |
| Synonyms | 1-CHLORO-4-(DIFLUOROMETHYL)-2-FLUOROBENZENE,
1214333-76-2,
SCHEMBL4430697,
CTK7B6617,
SOMCNJINLBUZFH-UHFFFAOYSA-N,
1135AD,
ZINC66323212,
AKOS005258253,
4-Chloro-3-fluoro(difluoromethyl)benzene,
AJ-115954,
TR-071175,
1-Chloro-4-(difluoromethyl)-2-fluorobenzene stabilized over potassium carbonate,
C7H4ClF3,
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| Complexity | 129 |
| 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 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number