| CAS Number | 1094273-06-9 |
| Catalog Number | AG01AB0M |
| Chemical Name | 4-bromo-2-(bromomethyl)-1-(pentyloxy)benzene |
| IUPAC Name | 4-bromo-2-(bromomethyl)-1-pentoxybenzene |
| InChI | InChI=1S/C12H16Br2O/c1-2-3-4-7-15-12-6-5-11(14)8-10(12)9-13/h5-6,8H,2-4,7,9H2,1H3 |
| InChI Key | KKPGDCKZGNUXSL-UHFFFAOYSA-N |
| MDL Number | MFCD11180444 |
| Molecular Formula | C12H16Br2O |
| Molecular Weight | 336.0628 |
| SMILES | CCCCCOC1=C(CBr)C=C(Br)C=C1 |
| Synonyms | 4-bromo-2-(bromomethyl)-1-(pentyloxy)benzene,
1094273-06-9,
AC1Q2WMW,
ZINC36894724,
AKOS009308806,
NE26500,
EN300-70105,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.955g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 336.067g/mol |
| Monoisotopic Mass | 333.957g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number