| CAS Number | 1515653-78-7 |
| Catalog Number | AG01EL9F |
| Chemical Name | 2-[(4-bromophenyl)sulfanyl]-2,2-difluoroacetic acid |
| IUPAC Name | 2-(4-bromophenyl)sulfanyl-2,2-difluoroacetic acid |
| InChI | InChI=1S/C8H5BrF2O2S/c9-5-1-3-6(4-2-5)14-8(10,11)7(12)13/h1-4H,(H,12,13) |
| InChI Key | DGNCWIMVUCKDBG-UHFFFAOYSA-N |
| MDL Number | MFCD24070446 |
| Molecular Formula | C8H5BrF2O2S |
| Molecular Weight | 283.0899 |
| SMILES | BrC1=CC=C(C=C1)SC(C(=O)O)(F)F |
| Synonyms | 2-[(4-bromophenyl)sulfanyl]-2,2-difluoroacetic acid,
4-Bromophenylthiodifluoroacetic acid,
AKOS019788417,
J3.539.274B,
1515653-78-7,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.916g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.087g/mol |
| Monoisotopic Mass | 281.916g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number