Ethyl 4-(4-bromophenyl)-2,4-dioxobutanoate - CAS 40155-54-2
Catalog: |
BB065831 |
Product Name: |
Ethyl 4-(4-bromophenyl)-2,4-dioxobutanoate |
CAS: |
40155-54-2 |
Synonyms: |
ethyl 4-(4-bromophenyl)-2,4-dioxobutanoate;Ethyl 4-bromo-a,g-dioxo-benzenebutanoate |
IUPAC Name: | ethyl 4-(4-bromophenyl)-2,4-dioxobutanoate |
Description: | Ethyl 4-(4-bromophenyl)-2,4-dioxobutanoate |
Molecular Weight: | 299.12 |
Molecular Formula: | C12H11BrO4 |
Canonical SMILES: | CCOC(=O)C(=O)CC(=O)C1=CC=C(C=C1)Br |
InChI: | InChI=1S/C12H11BrO4/c1-2-17-12(16)11(15)7-10(14)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3 |
InChI Key: | YAXZGVSOAFLCQS-UHFFFAOYSA-N |
Complexity: | 306 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.98407 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.98407 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 60.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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