4- Bromo- 3, 6- dihydro- 3, 5- dimethyl- 2, 6- dioxo- 1(2H) - pyrimidinecarboxylic Acid 1, 1- Dimethylethyl Ester - CAS 1643462-61-6
Catalog: |
BB055414 |
Product Name: |
4- Bromo- 3, 6- dihydro- 3, 5- dimethyl- 2, 6- dioxo- 1(2H) - pyrimidinecarboxylic Acid 1, 1- Dimethylethyl Ester |
CAS: |
1643462-61-6 |
Synonyms: |
tert-butyl 4-bromo-3,5-dimethyl-2,6-dioxo-3,6-dihydropyrimidine-1(2H)-carboxylate; tert-butyl4-bromo-3,5-dimethyl-2,6-dioxo-3,6-dihydropyrimidine-1(2H)-carboxylate |
IUPAC Name: | tert-butyl 4-bromo-3,5-dimethyl-2,6-dioxopyrimidine-1-carboxylate |
Molecular Weight: | 319.15 |
Molecular Formula: | C11H15BrN2O4 |
Canonical SMILES: | CC1=C(N(C(=O)N(C1=O)C(=O)OC(C)(C)C)C)Br |
InChI: | InChI=1S/C11H15BrN2O4/c1-6-7(12)13(5)9(16)14(8(6)15)10(17)18-11(2,3)4/h1-5H3 |
InChI Key: | VBVLQIRIQASKHA-UHFFFAOYSA-N |
Solubility: | Chloroform; Dichloromethane; Ethyl Acetate |
Appearance: | Pale Yellow Solid |
Complexity: | 450 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 318.02152 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 318.02152 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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