| CAS Number | 1214333-71-7 |
| Catalog Number | AG01ER0J(AGN-PC-0WOLML) |
| Chemical Name | 1-Chloro-3-(difluoromethyl)-2-fluorobenzene |
| IUPAC Name | 1-chloro-3-(difluoromethyl)-2-fluorobenzene |
| InChI | InChI=1S/C7H4ClF3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,7H |
| InChI Key | OELHRDFHVBBIOF-UHFFFAOYSA-N |
| MDL Number | MFCD14698544 |
| Molecular Formula | C7H4ClF3 |
| Molecular Weight | 180.5549 |
| SMILES | ClC1=C(C(=CC=C1)C(F)F)F |
| Synonyms | 1-chloro-3-(difluoromethyl)-2-fluorobenzene,
1214333-71-7,
ZINC96024689,
AKOS024059859,
FS-5666,
|
| 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 |
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Certificate of Analysis
Lot Number