| CAS Number | 1414870-65-7 |
| Catalog Number | AG00HW0Q(AGN-PC-0WQXRL) |
| Chemical Name | 4-Bromo-6-chloro-2-trifluoromethylphenol |
| IUPAC Name | 4-bromo-2-chloro-6-(trifluoromethyl)phenol |
| InChI | InChI=1S/C7H3BrClF3O/c8-3-1-4(7(10,11)12)6(13)5(9)2-3/h1-2,13H |
| InChI Key | IJRWMQHKKATCDQ-UHFFFAOYSA-N |
| MDL Number | MFCD22628187 |
| Molecular Formula | C7H3BrClF3O |
| Molecular Weight | 275.4503 |
| SMILES | c1c(cc(c(c1Cl)O)C(F)(F)F)Br |
| Synonyms | 1414870-65-7,
4-Bromo-6-chloro-2-trifluoromethylphenol,
4-Bromo-2-chloro-6-trifluoromethyl-phenol,
4-Bromo-2-chloro-6-(trifluoromethyl)phenol,
MFCD22628187,
ZINC90413790,
AKOS024122174,
Z1498,
Q-8915,
C7H3BrClF3O,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.901g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.449g/mol |
| Monoisotopic Mass | 273.901g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number