| CAS Number | 1070795-38-8 |
| Catalog Number | AG00HAWH(AGN-PC-0WRA3V) |
| Chemical Name | 5-Bromo-2-ethoxyanisole |
| IUPAC Name | 4-bromo-1-ethoxy-2-methoxybenzene |
| InChI | InChI=1S/C9H11BrO2/c1-3-12-8-5-4-7(10)6-9(8)11-2/h4-6H,3H2,1-2H3 |
| InChI Key | BGECZFRMXAHTGH-UHFFFAOYSA-N |
| MDL Number | MFCD15526975 |
| Molecular Formula | C9H11BrO2 |
| Molecular Weight | 231.0864 |
| SMILES | COC1=CC(Br)=CC=C1OCC |
| Synonyms | 5-bromo-2-ethoxyanisole,
1070795-38-8,
1-Bromo-4-ethoxy-3-methoxybenzene,
4-bromo-1-ethoxy-2-methoxybenzene,
SCHEMBL4572874,
MFCD18837618,
ZINC74934313,
AKOS026672419,
A1-06957,
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| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.089g/mol |
| Monoisotopic Mass | 229.994g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 18.5A^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
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