| CAS Number | 1204333-52-7 |
| Catalog Number | AG01B6NT |
| Chemical Name | 1-Bromo-3-(difluoromethyl)-2-fluorobenzene |
| IUPAC Name | 1-bromo-3-(difluoromethyl)-2-fluorobenzene |
| InChI | InChI=1S/C7H4BrF3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,7H |
| InChI Key | MFYNCTJUIOMWME-UHFFFAOYSA-N |
| MDL Number | MFCD14698534 |
| Molecular Formula | C7H4BrF3 |
| Molecular Weight | 225.0059 |
| SMILES | C1=CC(=C(C(=C1)Br)F)C(F)F |
| Synonyms | 1-bromo-3-(difluoromethyl)-2-fluorobenzene,
1204333-52-7,
SCHEMBL16636835,
DTXSID80673312,
MFYNCTJUIOMWME-UHFFFAOYSA-N,
MFCD14698534,
ZINC66309144,
AS-47947,
1-Bromo-3-(difluoromethyl)-2-fluorobenzene stabilized over potassium carbonate,
1-Bromo-3-difluoromethyl-2-fluoro-b,
1-Bromo-3-difluoromethyl-2-fluoro-b enzene,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.008g/mol |
| Monoisotopic Mass | 223.945g/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
Certificate of Analysis
Lot Number