| CAS Number | 745026-69-1 |
| Catalog Number | AG00ICJ1(AGN-PC-09GOYV) |
| Chemical Name | Ethyl 4-bromo-3,5-dimethoxybenzoate |
| IUPAC Name | ethyl 4-bromo-3,5-dimethoxybenzoate |
| InChI | InChI=1S/C11H13BrO4/c1-4-16-11(13)7-5-8(14-2)10(12)9(6-7)15-3/h5-6H,4H2,1-3H3 |
| InChI Key | JRGSBGWQRXWQLD-UHFFFAOYSA-N |
| MDL Number | MFCD11870187 |
| Molecular Formula | C11H13BrO4 |
| Molecular Weight | 289.1225 |
| SMILES | C1(Br)C(OC)=CC(C(OCC)=O)=CC=1OC |
| Synonyms | Ethyl 4-bromo-3,5-dimethoxybenzoate,
745026-69-1,
SCHEMBL10317176,
MFCD11870187,
ZINC58634478,
AS-44956,
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| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.125g/mol |
| Monoisotopic Mass | 288g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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