| CAS Number | 173974-88-4 |
| Catalog Number | AG001ZBH(AGN-PC-00OOH7) |
| Chemical Name | Ethanone, 1-(4-bromophenyl)-2,2-difluoro- |
| IUPAC Name | 1-(4-bromophenyl)-2,2-difluoroethanone |
| InChI | InChI=1S/C8H5BrF2O/c9-6-3-1-5(2-4-6)7(12)8(10)11/h1-4,8H |
| InChI Key | AULWQWKDUPKRJT-UHFFFAOYSA-N |
| MDL Number | MFCD20921396 |
| Molecular Formula | C8H5BrF2O |
| Molecular Weight | 235.0255 |
| SMILES | BrC1=CC=C(C=C1)C(C(F)F)=O |
| Synonyms | 173974-88-4,
1-(4-bromophenyl)-2,2-difluoroethanone,
1-(4-bromo-phenyl)-2,2-difluoro-ethanone,
1-(4-Bromophenyl)-2,2-difluoroethan-1-one,
Ethanone, 1-(4-bromophenyl)-2,2-difluoro-,
SCHEMBL11430,
CTK0E4208,
DTXSID00570798,
AULWQWKDUPKRJT-UHFFFAOYSA-N,
MFCD20921396,
ZINC90557349,
AKOS026736366,
AS-36649,
Ethanone,1-(4-bromophenyl)-2,2-difluoro-,
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| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.028g/mol |
| Monoisotopic Mass | 233.949g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number