| CAS Number | 1365272-61-2 |
| Catalog Number | AG009WVZ(AGN-PC-0WNW53) |
| Chemical Name | 5-Bromo-1-chloro-3-methoxy-2-propoxybenzene |
| IUPAC Name | 5-bromo-1-chloro-3-methoxy-2-propoxybenzene |
| InChI | InChI=1S/C10H12BrClO2/c1-3-4-14-10-8(12)5-7(11)6-9(10)13-2/h5-6H,3-4H2,1-2H3 |
| InChI Key | SAMKMGGLRKLFKE-UHFFFAOYSA-N |
| MDL Number | MFCD21609663 |
| Molecular Formula | C10H12BrClO2 |
| Molecular Weight | 279.5581 |
| SMILES | CCCOc1c(Cl)cc(cc1OC)Br |
| Synonyms | 5-BROMO-1-CHLORO-3-METHOXY-2-PROPOXYBENZENE,
1365272-61-2,
KM4019,
MFCD21609663,
ZINC95495710,
V2621,
C10H12BrClO2,
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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 | 277.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.558g/mol |
| Monoisotopic Mass | 277.971g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number