| CAS Number | 852946-96-4 |
| Catalog Number | AG00G9R6(AGN-PC-0CRF9A) |
| Chemical Name | 2-Bromo-1-ethyl-4-methoxybenzene |
| IUPAC Name | 2-bromo-1-ethyl-4-methoxybenzene |
| InChI | InChI=1S/C9H11BrO/c1-3-7-4-5-8(11-2)6-9(7)10/h4-6H,3H2,1-2H3 |
| InChI Key | PIPKSXJTPSSWRY-UHFFFAOYSA-N |
| MDL Number | MFCD22491028 |
| Molecular Formula | C9H11BrO |
| Molecular Weight | 215.0870 |
| SMILES | BrC1=C(C=CC(=C1)OC)CC |
| Synonyms | 2-Bromo-1-ethyl-4-methoxybenzene,
852946-96-4,
SCHEMBL3484107,
ZINC98180476,
Benzene, 2-bromo-1-ethyl-4-methoxy-,
FCH2277812,
AJ-141582,
AX8289068,
FT-0713430,
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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 | 3.4 |
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Certificate of Analysis
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