Methyl 5-bromo-4-pyrimidinecarboxylate - CAS 1009826-93-0
Catalog: |
BB059804 |
Product Name: |
Methyl 5-bromo-4-pyrimidinecarboxylate |
CAS: |
1009826-93-0 |
Synonyms: |
methyl 5-bromopyrimidine-4-carboxylate; METHYL 5-BROMO-4-PYRIMIDINECARBOXYLATE; methyl5-bromopyrimidine-4-carboxylate |
IUPAC Name: | methyl 5-bromopyrimidine-4-carboxylate |
Description: | Methyl 5-bromo-4-pyrimidinecarboxylate |
Molecular Weight: | 217.02 |
Molecular Formula: | C6H5BrN2O2 |
Canonical SMILES: | COC(=O)C1=NC=NC=C1Br |
InChI: | InChI=1S/C6H5BrN2O2/c1-11-6(10)5-4(7)2-8-3-9-5/h2-3H,1H3 |
InChI Key: | XUPQZWPAEGFTMN-UHFFFAOYSA-N |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.95344 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.95344 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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