| CAS Number | 1820607-87-1 |
| Catalog Number | AG00I0HO |
| Chemical Name | (Acetyloxy)[2-(acetyloxy)-3-bromophenyl]methyl acetate |
| IUPAC Name | [2-bromo-6-(diacetyloxymethyl)phenyl] acetate |
| InChI | InChI=1S/C13H13BrO6/c1-7(15)18-12-10(5-4-6-11(12)14)13(19-8(2)16)20-9(3)17/h4-6,13H,1-3H3 |
| InChI Key | VUTGEMBIPTYLGQ-UHFFFAOYSA-N |
| MDL Number | MFCD26383419 |
| Molecular Formula | C13H13BrO6 |
| Molecular Weight | 345.1427 |
| SMILES | CC(=O)OC(c1cccc(c1OC(=O)C)Br)OC(=O)C |
| Synonyms | (2-Acetoxy-3-bromophenyl)methylene diacetate,
1820607-87-1,
(ACETYLOXY)[2-(ACETYLOXY)-3-BROMOPHENYL]METHYL ACETATE,
C13H13BrO6,
KM4092,
ZINC95495782,
V9964,
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| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 343.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 345.145g/mol |
| Monoisotopic Mass | 343.99g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 78.9A^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