| CAS Number | 1417567-41-9 |
| Catalog Number | AG00HW7L(AGN-PC-0WBR96) |
| Chemical Name | 1-Bromo-3-chloro-5-(trifluoromethoxy)benzene |
| IUPAC Name | 1-bromo-3-chloro-5-(trifluoromethoxy)benzene |
| InChI | InChI=1S/C7H3BrClF3O/c8-4-1-5(9)3-6(2-4)13-7(10,11)12/h1-3H |
| InChI Key | HGPFOMWNRNCDMI-UHFFFAOYSA-N |
| MDL Number | MFCD11856023 |
| Molecular Formula | C7H3BrClF3O |
| Molecular Weight | 275.4503 |
| SMILES | Clc1cc(cc(c1)Br)OC(F)(F)F |
| Synonyms | 1-bromo-3-chloro-5-(trifluoromethoxy)benzene,
1417567-41-9,
3-Bromo-5-chloro-1-(trifluoromethoxy)benzene,
SCHEMBL10872626,
BBL103550,
MFCD11856023,
STL557360,
ZINC59563600,
AKOS016016538,
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| Complexity | 176 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.449g/mol |
| Monoisotopic Mass | 273.901g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
Lot Number