| CAS Number | 1177558-47-2 |
| Catalog Number | AG000HSB(AGN-PC-0WD4M7) |
| Chemical Name | 1-Bromo-3-(bromomethyl)-2-methoxybenzene |
| IUPAC Name | 1-bromo-3-(bromomethyl)-2-methoxybenzene |
| InChI | InChI=1S/C8H8Br2O/c1-11-8-6(5-9)3-2-4-7(8)10/h2-4H,5H2,1H3 |
| InChI Key | JMASIRNBPZSWLQ-UHFFFAOYSA-N |
| MDL Number | MFCD14656794 |
| Molecular Formula | C8H8Br2O |
| Molecular Weight | 279.9565 |
| SMILES | COC1=C(CBr)C=CC=C1Br |
| Synonyms | 1177558-47-2,
1-Bromo-3-(bromomethyl)-2-methoxybenzene,
3-Bromo-2-methoxybenzyl bromide,
SCHEMBL1364220,
2-Bromo-6-(bromomethyl)anisole,
JMASIRNBPZSWLQ-UHFFFAOYSA-N,
MFCD14656794,
ZINC42412549,
AKOS010651264,
PS-10006,
AJ-104422,
FT-0756112,
1-bromo-3-(bromomethyl)-2-(methyloxy)benzene,
|
| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.892g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.959g/mol |
| Monoisotopic Mass | 277.894g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number