| CAS Number | 1242336-66-8 |
| Catalog Number | AG000LQB(AGN-PC-09PZH2) |
| Chemical Name | 1-Bromo-3-chloro-5-isopropoxybenzene |
| IUPAC Name | 1-bromo-3-chloro-5-propan-2-yloxybenzene |
| InChI | InChI=1S/C9H10BrClO/c1-6(2)12-9-4-7(10)3-8(11)5-9/h3-6H,1-2H3 |
| InChI Key | OTWVUTFRDAIKIM-UHFFFAOYSA-N |
| MDL Number | MFCD16660297 |
| Molecular Formula | C9H10BrClO |
| Molecular Weight | 249.5321 |
| SMILES | CC(Oc1cc(Cl)cc(c1)Br)C |
| Synonyms | 1-Bromo-3-chloro-5-isopropoxybenzene,
1242336-66-8,
ACMC-209arb,
SCHEMBL18282325,
CTK4B3807,
DTXSID60682129,
ANW-18213,
MFCD16660297,
ZINC65337315,
AKOS015835384,
TR-035034,
Z8764,
1-bromo-3-chloro-5-(propan-2-yloxy)benzene,
1-Bromo-3-chloro-5-[(propan-2-yl)oxy]benzene,
Benzene, 1-bromo-3-chloro-5-(1-methylethoxy)-,
C9H10BrClO,
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| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.532g/mol |
| Monoisotopic Mass | 247.96g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number