| CAS Number | 1403483-70-4 |
| Catalog Number | AG009WYR(AGN-PC-0WNX8H) |
| Chemical Name | Methyl 4-bromo-2-(2-methoxy-2-oxoethyl)benzoate |
| IUPAC Name | methyl 4-bromo-2-(2-methoxy-2-oxoethyl)benzoate |
| InChI | InChI=1S/C11H11BrO4/c1-15-10(13)6-7-5-8(12)3-4-9(7)11(14)16-2/h3-5H,6H2,1-2H3 |
| InChI Key | HHGOFKSYBIJJTF-UHFFFAOYSA-N |
| MDL Number | MFCD22549313 |
| Molecular Formula | C11H11BrO4 |
| Molecular Weight | 287.1066 |
| SMILES | BrC1=CC(=C(C(=O)OC)C=C1)CC(=O)OC |
| Synonyms | methyl 4-bromo-2-(2-methoxy-2-oxoethyl)benzoate,
1403483-70-4,
SCHEMBL3569905,
ZINC95217918,
AKOS026673276,
V3066,
C11H11BrO4,
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| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.109g/mol |
| Monoisotopic Mass | 285.984g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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