| CAS Number | 1820704-11-7 |
| Catalog Number | AG00I0WK |
| Chemical Name | 5-Bromo-1-chloro-3-fluoro-2-isopropoxybenzene |
| IUPAC Name | 5-bromo-1-chloro-3-fluoro-2-propan-2-yloxybenzene |
| InChI | InChI=1S/C9H9BrClFO/c1-5(2)13-9-7(11)3-6(10)4-8(9)12/h3-5H,1-2H3 |
| InChI Key | MPXIZDDTUKNQCL-UHFFFAOYSA-N |
| MDL Number | MFCD26940386 |
| Molecular Formula | C9H9BrClFO |
| Molecular Weight | 267.5226 |
| SMILES | c1(c(c(cc(c1)Br)F)OC(C)C)Cl |
| Synonyms | 5-Bromo-1-chloro-3-fluoro-2-isopropoxybenzene,
1820704-11-7,
MFCD26940386,
ZINC97743315,
Y2795,
C9H9BrClFO,
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| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.522g/mol |
| Monoisotopic Mass | 265.951g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
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