| CAS Number | 1263377-05-4 |
| Catalog Number | AG00A05V(AGN-PC-0WNPR1) |
| Chemical Name | Methyl 5-Bromo-2-chloro-3-methylbenzoate |
| IUPAC Name | methyl 5-bromo-2-chloro-3-methylbenzoate |
| InChI | InChI=1S/C9H8BrClO2/c1-5-3-6(10)4-7(8(5)11)9(12)13-2/h3-4H,1-2H3 |
| InChI Key | UHANDWUFYMCSFF-UHFFFAOYSA-N |
| MDL Number | MFCD18379814 |
| Molecular Formula | C9H8BrClO2 |
| Molecular Weight | 263.5156 |
| SMILES | CC1=CC(=CC(=C1Cl)C(=O)OC)Br |
| Synonyms | methyl 5-bromo-2-chloro-3-methylbenzoate,
1263377-05-4,
Methyl 5-Bromo-2-chloro-3-methylbenzoate,
MFCD18379814,
ZINC67800116,
methyl 5-bromo-2-chloro-3-methylbenzoate, 95% - 1G 1g,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.515g/mol |
| Monoisotopic Mass | 261.94g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
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