| CAS Number | 875846-59-6 |
| Catalog Number | AG00IEOZ(AGN-PC-0WD2C7) |
| Chemical Name | Ethyl 3-bromo-4-ethoxybenzoate |
| IUPAC Name | ethyl 3-bromo-4-ethoxybenzoate |
| InChI | InChI=1S/C11H13BrO3/c1-3-14-10-6-5-8(7-9(10)12)11(13)15-4-2/h5-7H,3-4H2,1-2H3 |
| InChI Key | YXYDMAQNGIXRBA-UHFFFAOYSA-N |
| MDL Number | MFCD06800660 |
| Molecular Formula | C11H13BrO3 |
| Molecular Weight | 273.1231 |
| SMILES | O=C(OCC)C1=CC=C(OCC)C(Br)=C1 |
| Synonyms | ethyl 3-bromo-4-ethoxybenzoate,
875846-59-6,
ARONIS011284,
DTXSID10589250,
KS-000042GK,
STL066417,
ZINC12137161,
AKOS000500607,
MCULE-6392385852,
AJ-60718,
4-ethoxy-3-bromo-benzoic acid ethyl ester,
AX8255437,
BB0288235,
TC-067241,
ST45048002,
AN-329/43341584,
Ethyl3-bromo-4-ethoxybenzoate,
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| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.126g/mol |
| Monoisotopic Mass | 272.005g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^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
Lot Number