| CAS Number | 871888-83-4 |
| Catalog Number | AG00IMM7(AGN-PC-0WCSDX) |
| Chemical Name | 4-Bromo-2-ethoxy-1-methylbenzene |
| IUPAC Name | 4-bromo-2-ethoxy-1-methylbenzene |
| InChI | InChI=1S/C9H11BrO/c1-3-11-9-6-8(10)5-4-7(9)2/h4-6H,3H2,1-2H3 |
| InChI Key | OKMPDBGMEITHKJ-UHFFFAOYSA-N |
| MDL Number | MFCD11617247 |
| Molecular Formula | C9H11BrO |
| Molecular Weight | 215.0870 |
| SMILES | BrC1=CC(=C(C=C1)C)OCC |
| Synonyms | 4-Bromo-2-ethoxy-1-methylbenzene,
871888-83-4,
1-Bromo-3-ethoxy-4-methylbenzene,
4-Bromo-2-ethoxytolune,
4-BROMO-2-ETHOXYTOLUENE,
SCHEMBL18758854,
DTXSID50702385,
ZINC90413478,
AKOS022181385,
AM87305,
AK-62029,
DS-14904,
AJ-128696,
ST24043369,
Z0931,
Q-7752,
C9H11BrO,
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| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.09g/mol |
| Monoisotopic Mass | 213.999g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number