| CAS Number | 51679-57-3 |
| Catalog Number | AG01FHES(AGN-PC-02T5Q9) |
| Chemical Name | 1-bromo-4-((difluoromethyl)sulfonyl)benzene |
| IUPAC Name | 1-bromo-4-(difluoromethylsulfonyl)benzene |
| InChI | InChI=1S/C7H5BrF2O2S/c8-5-1-3-6(4-2-5)13(11,12)7(9)10/h1-4,7H |
| InChI Key | LILXEWHLJBFHDS-UHFFFAOYSA-N |
| MDL Number | MFCD13188442 |
| Molecular Formula | C7H5BrF2O2S |
| Molecular Weight | 271.0792 |
| SMILES | FC(S(=O)(=O)c1ccc(cc1)Br)F |
| Synonyms | 51679-57-3,
1-Bromo-4-[(difluoromethyl)sulfonyl]benzene,
1-bromo-4-((difluoromethyl)sulfonyl)benzene,
1-bromo-4-(difluoromethylsulfonyl)benzene,
SCHEMBL6729425,
LILXEWHLJBFHDS-UHFFFAOYSA-N,
MFCD13188442,
ZINC40544416,
4-(Difluoromethylsulfonyl)bromobenzene,
AKOS005362469,
FCH1380930,
MCULE-5538379159,
PC48638,
DA-05287,
NS-04352,
FT-0749108,
AZ0001-0505,
1-BROMO-4-DIFLUOROMETHANESULFONYLBENZENE,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.916g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.076g/mol |
| Monoisotopic Mass | 269.916g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number