| CAS Number | 261945-75-9 |
| Catalog Number | AG00BIX2 |
| Chemical Name | 1-Bromo-2,5-difluoro-4-(trifluoromethyl)benzene |
| IUPAC Name | 1-bromo-2,5-difluoro-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C7H2BrF5/c8-4-2-5(9)3(1-6(4)10)7(11,12)13/h1-2H |
| InChI Key | FRNCYVHNJMSHKX-UHFFFAOYSA-N |
| MDL Number | MFCD01631615 |
| Molecular Formula | C7H2BrF5 |
| Molecular Weight | 260.9868 |
| SMILES | Fc1cc(c(cc1Br)F)C(F)(F)F |
| Synonyms | 261945-75-9,
1-bromo-2,5-difluoro-4-(trifluoromethyl)benzene,
1-Bromo-2,5-difluoro-4-trifluoromethylbenzene,
SCHEMBL584279,
ZINC2382326,
MFCD01631615,
2,5-Difluoro-4-(trifluoromethyl)bromobenzene,
2,5-Difluoro-4-bromobenzotrifluoride,
ACN-056242,
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| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.926g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.989g/mol |
| Monoisotopic Mass | 259.926g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number