| CAS Number | 1265286-99-4 |
| Catalog Number | AG009WZU(AGN-PC-0WNPSZ) |
| Chemical Name | Methyl 5-bromo-2-(dibromomethyl)benzoate |
| IUPAC Name | methyl 5-bromo-2-(dibromomethyl)benzoate |
| InChI | InChI=1S/C9H7Br3O2/c1-14-9(13)7-4-5(10)2-3-6(7)8(11)12/h2-4,8H,1H3 |
| InChI Key | ADBQOKFPSDJLQB-UHFFFAOYSA-N |
| MDL Number | MFCD25121753 |
| Molecular Formula | C9H7Br3O2 |
| Molecular Weight | 386.8627 |
| SMILES | COC(=O)c1cc(Br)ccc1C(Br)Br |
| Synonyms | methyl 5-bromo-2-(dibromomethyl)benzoate,
1265286-99-4,
C9H7Br3O2,
SCHEMBL4084280,
ZINC97972948,
AKOS026672678,
Z9329,
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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 | 385.798g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 386.865g/mol |
| Monoisotopic Mass | 383.8g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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