| CAS Number | 80351-58-2 |
| Catalog Number | AG00G542(AGN-PC-0NG73K) |
| Chemical Name | Bromodifluoromethanesulfonylbenzene |
| IUPAC Name | [bromo(difluoro)methyl]sulfonylbenzene |
| InChI | InChI=1S/C7H5BrF2O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5H |
| InChI Key | VYNTWHUALGNGNU-UHFFFAOYSA-N |
| MDL Number | MFCD22628354 |
| Molecular Formula | C7H5BrF2O2S |
| Molecular Weight | 271.0792 |
| SMILES | BrC(S(=O)(=O)C1=CC=CC=C1)(F)F |
| Synonyms | bromodifluoromethanesulfonylbenzene,
80351-58-2,
bromodifluoromethyl phenyl sulfone,
SCHEMBL5664875,
Bromodifluoromethylphenyl sulfone,
VYNTWHUALGNGNU-UHFFFAOYSA-N,
ZINC38273606,
((Bromodifluoromethyl)sulfonyl)benzene,
AKOS030229738,
NE17006,
(bromo-difluoro-methyl)sulfonylbenzene,
CID11119175,
Bromodifluoromethyl phenyl sulfone, 98% - 1G 1g,
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| Complexity | 265 |
| 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 | 3.1 |
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Certificate of Analysis
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