| CAS Number | 211495-66-8 |
| Catalog Number | AG00CFWB(AGN-PC-0QXPAR) |
| Chemical Name | Phenol, 4-bromo-2-ethoxy- (9CI) |
| IUPAC Name | 4-bromo-2-ethoxyphenol |
| InChI | InChI=1S/C8H9BrO2/c1-2-11-8-5-6(9)3-4-7(8)10/h3-5,10H,2H2,1H3 |
| InChI Key | FHIRTCZQNMPCJR-UHFFFAOYSA-N |
| MDL Number | MFCD09907051 |
| Molecular Formula | C8H9BrO2 |
| Molecular Weight | 217.0599 |
| SMILES | CCOc1cc(Br)ccc1O |
| Synonyms | 4-bromo-2-ethoxyphenol,
211495-66-8,
4-bromo-2-ethoxy-phenol,
Phenol, 4-bromo-2-ethoxy-,
SCHEMBL282961,
FHIRTCZQNMPCJR-UHFFFAOYSA-N,
MFCD09907051,
ZINC11949682,
AKOS016380476,
MCULE-9885838573,
A1-04589,
Phenol, 4-bromo-2-ethoxy- (9CI),
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| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.062g/mol |
| Monoisotopic Mass | 215.979g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number