| CAS Number | 1208077-70-6 |
| Catalog Number | AG01FCKC(AGN-PC-3H49MP) |
| Chemical Name | 3,5-Difluoro-1-(difluoromethyl)benzene |
| IUPAC Name | 1-(difluoromethyl)-3,5-difluorobenzene |
| InChI | InChI=1S/C7H4F4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,7H |
| InChI Key | WLYSUYQNXIIZID-UHFFFAOYSA-N |
| MDL Number | MFCD12026288 |
| Molecular Formula | C7H4F4 |
| Molecular Weight | 164.1003 |
| SMILES | Fc1cc(cc(c1)F)C(F)F |
| Synonyms | 3,5-Difluoro-1-(difluoromethyl)benzene,
1208077-70-6,
ZINC63767509,
AKOS006317458,
1-(difluoromethyl)-3,5-difluorobenzene,
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| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.103g/mol |
| Monoisotopic Mass | 164.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number