| CAS Number | 198967-20-3 |
| Catalog Number | AG00IXKI(AGN-PC-01UW9U) |
| Chemical Name | 2-Bromo-1-(diethoxymethyl)-4-fluorobenzene |
| IUPAC Name | 2-bromo-1-(diethoxymethyl)-4-fluorobenzene |
| InChI | InChI=1S/C11H14BrFO2/c1-3-14-11(15-4-2)9-6-5-8(13)7-10(9)12/h5-7,11H,3-4H2,1-2H3 |
| InChI Key | DHPSVWWHCBZFLP-UHFFFAOYSA-N |
| MDL Number | MFCD22383957 |
| Molecular Formula | C11H14BrFO2 |
| Molecular Weight | 277.1301 |
| SMILES | [Br]C1(=C(C=CC(=C1)F)C(OCC)OCC) |
| Synonyms | 2-bromo-1-(diethoxymethyl)-4-fluorobenzene,
198967-20-3,
SCHEMBL6712921,
DHPSVWWHCBZFLP-UHFFFAOYSA-N,
KS-00002B1J,
ZX-RL000469,
MFCD22383957,
ZINC76818248,
AKOS016028543,
SS-3534,
PC200000,
2-bromo4-fluoro-benzaldehyde diethyl acetal,
2-bromo-4-fluoro-benzaldehyde diethyl acetal,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.133g/mol |
| Monoisotopic Mass | 276.016g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number