| CAS Number | 925916-62-7 |
| Catalog Number | AG01EH9C |
| Chemical Name | Methyl 5-bromo-2-propoxybenzoate |
| IUPAC Name | methyl 5-bromo-2-propoxybenzoate |
| InChI | InChI=1S/C11H13BrO3/c1-3-6-15-10-5-4-8(12)7-9(10)11(13)14-2/h4-5,7H,3,6H2,1-2H3 |
| InChI Key | WECBYIPSRZGQIE-UHFFFAOYSA-N |
| MDL Number | MFCD17292507 |
| Molecular Formula | C11H13BrO3 |
| Molecular Weight | 273.1231 |
| SMILES | CCCOc1ccc(cc1C(=O)OC)Br |
| Synonyms | methyl 5-bromo-2-propoxybenzoate,
925916-62-7,
SCHEMBL4600210,
WECBYIPSRZGQIE-UHFFFAOYSA-N,
AKOS022857078,
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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 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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