| CAS Number | 7017-50-7 |
| Catalog Number | AG01AC27(AGN-PC-0NIOU7) |
| Chemical Name | 4-bromo-2-(chloromethyl)-1-propoxybenzene |
| IUPAC Name | 4-bromo-2-(chloromethyl)-1-propoxybenzene |
| InChI | InChI=1S/C10H12BrClO/c1-2-5-13-10-4-3-9(11)6-8(10)7-12/h3-4,6H,2,5,7H2,1H3 |
| InChI Key | SUCZNPPNJOHWAE-UHFFFAOYSA-N |
| MDL Number | MFCD11195002 |
| Molecular Formula | C10H12BrClO |
| Molecular Weight | 263.5587 |
| SMILES | CCCOC1=C(CCl)C=C(Br)C=C1 |
| Synonyms | 4-bromo-2-(chloromethyl)-1-propoxybenzene,
7017-50-7,
ZINC20483194,
NE41887,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.559g/mol |
| Monoisotopic Mass | 261.976g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number