| CAS Number | 900174-64-3 |
| Catalog Number | AG00H2OS(AGN-PC-0D58IS) |
| Chemical Name | 4-Bromo-2-ethoxy-1-fluorobenzene |
| IUPAC Name | 4-bromo-2-ethoxy-1-fluorobenzene |
| InChI | InChI=1S/C8H8BrFO/c1-2-11-8-5-6(9)3-4-7(8)10/h3-5H,2H2,1H3 |
| InChI Key | QNMCMYYZINDARU-UHFFFAOYSA-N |
| MDL Number | MFCD17011974 |
| Molecular Formula | C8H8BrFO |
| Molecular Weight | 219.0509 |
| SMILES | c1(c(ccc(c1)Br)F)OCC |
| Synonyms | 4-Bromo-2-ethoxy-1-fluorobenzene,
900174-64-3,
1-Bromo-3-ethoxy-4-fluorobenzene,
Benzene, 4-bromo-2-ethoxy-1-fluoro-,
SCHEMBL2854732,
CTK3I5468,
DTXSID30733177,
QNMCMYYZINDARU-UHFFFAOYSA-N,
ANW-68806,
ZINC85223415,
AKOS016005879,
AJ-127189,
TC-157551,
ST24043368,
Z1051,
Q-7766,
C8H8BrFO,
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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 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number