| CAS Number | 644982-90-1 |
| Catalog Number | AG00ELW6(AGN-PC-05IZPQ) |
| Chemical Name | (3,5-Dibromo-phenyl)-acetic acid methyl ester |
| IUPAC Name | methyl 2-(3,5-dibromophenyl)acetate |
| InChI | InChI=1S/C9H8Br2O2/c1-13-9(12)4-6-2-7(10)5-8(11)3-6/h2-3,5H,4H2,1H3 |
| InChI Key | UAHBKRHFZXQOJY-UHFFFAOYSA-N |
| MDL Number | MFCD09955488 |
| Molecular Formula | C9H8Br2O2 |
| Molecular Weight | 307.9666 |
| SMILES | BrC=1C=C(C=C(C1)Br)CC(=O)OC |
| Synonyms | 644982-90-1,
Methyl 2-(3,5-dibromophenyl)acetate,
Methyl 3,5-Dibromophenylacetate,
SCHEMBL8360725,
methyl(3,5-dibromophenyl)acetate,
UAHBKRHFZXQOJY-UHFFFAOYSA-N,
ZINC22016491,
AKOS026670763,
(3,5-Dibromo-phenyl)-acetic acid methyl ester,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.887g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.969g/mol |
| Monoisotopic Mass | 305.889g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number