| CAS Number | 1280786-90-4 |
| Catalog Number | AG000XSC(AGN-PC-0WCCQJ) |
| Chemical Name | 3-Bromo-4-ethoxy-5-fluoroaniline |
| IUPAC Name | 3-bromo-4-ethoxy-5-fluoroaniline |
| InChI | InChI=1S/C8H9BrFNO/c1-2-12-8-6(9)3-5(11)4-7(8)10/h3-4H,2,11H2,1H3 |
| InChI Key | BKPHRBXTKLFFHS-UHFFFAOYSA-N |
| MDL Number | MFCD18783112 |
| Molecular Formula | C8H9BrFNO |
| Molecular Weight | 234.0656 |
| SMILES | CCOc1c(F)cc(cc1Br)N |
| Synonyms | 3-BROMO-4-ETHOXY-5-FLUOROANILINE,
1280786-90-4,
ACMC-209bed,
CTK8A9986,
DTXSID20551226,
ANW-19043,
MFCD18783112,
ZINC65336904,
AKOS015908420,
FCH1342905,
CJ-21011,
Benzenamine, 3-bromo-4-ethoxy-5-fluoro-,
AJ-114930,
AX8229118,
TC-107788,
ST24022731,
Z9415,
A-3316,
I14-24600,
C8H9BrFNO,
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| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.068g/mol |
| Monoisotopic Mass | 232.985g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number