| CAS Number | 1214349-96-8 |
| Catalog Number | AG01ER0L(AGN-PC-3H47D0) |
| Chemical Name | 1-(Difluoromethyl)-2,3-difluorobenzene |
| IUPAC Name | 1-(difluoromethyl)-2,3-difluorobenzene |
| InChI | InChI=1S/C7H4F4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,7H |
| InChI Key | RXIRBTBXFQZZLE-UHFFFAOYSA-N |
| MDL Number | MFCD14698571 |
| Molecular Formula | C7H4F4 |
| Molecular Weight | 164.1003 |
| SMILES | c1(cccc(c1F)C(F)F)F |
| Synonyms | 1-(difluoromethyl)-2,3-difluorobenzene,
1214349-96-8,
SCHEMBL16956757,
ZINC112731866,
|
| Complexity | 126 |
| 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
Certificate of Analysis
Lot Number