| CAS Number | 115467-04-4 |
| Catalog Number | AG000G12(AGN-PC-000N86) |
| Chemical Name | 5-Bromo-2-ethoxy-1,3-difluorobenzene |
| IUPAC Name | 5-bromo-2-ethoxy-1,3-difluorobenzene |
| InChI | InChI=1S/C8H7BrF2O/c1-2-12-8-6(10)3-5(9)4-7(8)11/h3-4H,2H2,1H3 |
| InChI Key | NDUBLGNFIPJKSL-UHFFFAOYSA-N |
| MDL Number | MFCD18917873 |
| Molecular Formula | C8H7BrF2O |
| Molecular Weight | 237.0414 |
| SMILES | C1(OCC)C(F)=CC(Br)=CC=1F |
| Synonyms | 5-BROMO-2-ETHOXY-1,3-DIFLUOROBENZENE,
115467-04-4,
1-Bromo-3,5-difluoro-4-ethoxybenzene,
Benzene, 5-bromo-2-ethoxy-1,3-difluoro-,
4-bromo-2,6-difluorophenetole,
SCHEMBL3800127,
CTK6G0191,
NDUBLGNFIPJKSL-UHFFFAOYSA-N,
ZINC34243741,
AKOS022187097,
AS07038,
FCH1348309,
AJ-87618,
AX8284443,
Z-2662,
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| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.044g/mol |
| Monoisotopic Mass | 235.965g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number