| CAS Number | 1105665-14-2 |
| Catalog Number | AG01FAJP(AGN-PC-3H49GK) |
| Chemical Name | 4-Bromo-1-fluoro-2-(2-methoxyethoxy)-benzene |
| IUPAC Name | 4-bromo-1-fluoro-2-(2-methoxyethoxy)benzene |
| InChI | InChI=1S/C9H10BrFO2/c1-12-4-5-13-9-6-7(10)2-3-8(9)11/h2-3,6H,4-5H2,1H3 |
| InChI Key | ATSLAOPDEIFBDU-UHFFFAOYSA-N |
| MDL Number | MFCD26958727 |
| Molecular Formula | C9H10BrFO2 |
| Molecular Weight | 249.0769 |
| SMILES | COCCOc1cc(Br)ccc1F |
| Synonyms | 4-Bromo-1-fluoro-2-(2-methoxyethoxy)-benzene,
1105665-14-2,
SCHEMBL427426,
ATSLAOPDEIFBDU-UHFFFAOYSA-N,
ZINC96024788,
FS-5884,
4-bromo-1-fluoro-2-(2-methoxyethoxyl)benzene,
4-Bromo-1-fluoro-2-(2-methoxy-ethoxy)-benzene,
4-bromo-1-fluoro-2-(2-methoxyethoxy)benzene,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.079g/mol |
| Monoisotopic Mass | 247.985g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number