| CAS Number | 99070-23-2 |
| Catalog Number | AG003JZ4(AGN-PC-00SS50) |
| Chemical Name | 4-(2-Bromoethoxy)-3-methoxybenzaldehyde |
| IUPAC Name | 4-(2-bromoethoxy)-3-methoxybenzaldehyde |
| InChI | InChI=1S/C10H11BrO3/c1-13-10-6-8(7-12)2-3-9(10)14-5-4-11/h2-3,6-7H,4-5H2,1H3 |
| InChI Key | VFSWCDPTQADMSM-UHFFFAOYSA-N |
| MDL Number | MFCD00021060 |
| Molecular Formula | C10H11BrO3 |
| Molecular Weight | 259.0965 |
| SMILES | BrCCOC1=C(C=C(C=O)C=C1)OC |
| Synonyms | 4-(2-Bromoethoxy)-3-methoxybenzaldehyde,
99070-23-2,
VFSWCDPTQADMSM-UHFFFAOYSA-N,
ACMC-20amxx,
SCHEMBL2650011,
CTK8C5929,
DTXSID90582087,
SP095,
ZINC2566294,
AKOS000103475,
4-(2-Bromomethoxy)-3-methoxybenzaldehyd,
4-(2-bromo-ethoxy)-3-methoxy-benzaldehyde,
DB-080574,
TC-169404,
Benzaldehyde, 4-(2-bromoethoxy)-3-methoxy-,
FT-0728542,
4-(2-Bromoethoxy)-3-methoxybenzaldehyde, 97%,
I01-18856,
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| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.099g/mol |
| Monoisotopic Mass | 257.989g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number