| CAS Number | 1555379-66-2 |
| Catalog Number | AG00HYC2(AGN-PC-0WOASN) |
| Chemical Name | 2-Bromo-4-ethoxy-1-fluorobenzene |
| IUPAC Name | 2-bromo-4-ethoxy-1-fluorobenzene |
| InChI | InChI=1S/C8H8BrFO/c1-2-11-6-3-4-8(10)7(9)5-6/h3-5H,2H2,1H3 |
| InChI Key | QGNZBLWPGNSKII-UHFFFAOYSA-N |
| MDL Number | MFCD25318992 |
| Molecular Formula | C8H8BrFO |
| Molecular Weight | 219.0509 |
| SMILES | c1(ccc(c(c1)Br)F)OCC |
| Synonyms | 2-Bromo-4-ethoxy-1-fluorobenzene,
1555379-66-2,
SCHEMBL15710785,
AKOS021558224,
ZINC137053625,
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| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.053g/mol |
| Monoisotopic Mass | 217.974g/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 |
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Certificate of Analysis
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