| CAS Number | 1881328-60-4 |
| Catalog Number | AG00I2HJ(AGN-PC-0WR8NY) |
| Chemical Name | 3-bromo-2-chloro-5-(trifluoromethyl)phenol |
| IUPAC Name | 3-bromo-2-chloro-5-(trifluoromethyl)phenol |
| InChI | InChI=1S/C7H3BrClF3O/c8-4-1-3(7(10,11)12)2-5(13)6(4)9/h1-2,13H |
| InChI Key | FVGMEXJBBKYUQP-UHFFFAOYSA-N |
| MDL Number | MFCD29044643 |
| Molecular Formula | C7H3BrClF3O |
| Molecular Weight | 275.4503 |
| SMILES | Oc1cc(cc(c1Cl)Br)C(F)(F)F |
| Synonyms | 3-BROMO-2-CHLORO-5-(TRIFLUOROMETHYL)PHENOL,
1881328-60-4,
ZINC261493611,
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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 |
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Certificate of Analysis
Lot Number