Methyl 3-Bromo-4,5-dichlorobenzoate - CAS 1160574-77-5
Catalog: |
BB054725 |
Product Name: |
Methyl 3-Bromo-4,5-dichlorobenzoate |
CAS: |
1160574-77-5 |
Synonyms: |
Methyl3-Bromo-4,5-dichlorobenzoate |
IUPAC Name: | methyl 3-bromo-4,5-dichlorobenzoate |
Molecular Weight: | 283.93 |
Molecular Formula: | C8H5BrCl2O2 |
Canonical SMILES: | COC(=O)C1=CC(=C(C(=C1)Br)Cl)Cl |
InChI: | InChI=1S/C8H5BrCl2O2/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3H,1H3 |
InChI Key: | ANUDICAWMRTDOZ-UHFFFAOYSA-N |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.885 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.885 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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