| CAS Number | 1353776-75-6 |
| Catalog Number | AG01B23F |
| Chemical Name | 1-Bromo-2-chloro-4-propoxybenzene |
| IUPAC Name | 1-bromo-2-chloro-4-propoxybenzene |
| InChI | InChI=1S/C9H10BrClO/c1-2-5-12-7-3-4-8(10)9(11)6-7/h3-4,6H,2,5H2,1H3 |
| InChI Key | KEPBOFZYTVIDIG-UHFFFAOYSA-N |
| MDL Number | MFCD23162478 |
| Molecular Formula | C9H10BrClO |
| Molecular Weight | 249.5321 |
| SMILES | O(c1ccc(c(c1)Cl)Br)CCC |
| Synonyms | 1-bromo-2-chloro-4-propoxybenzene,
1353776-75-6,
SCHEMBL9931911,
AKOS033919899,
ZINC168789273,
FT-0767751,
Z2466639250,
|
| Complexity | 132 |
| 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 | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number