Methyl 5-bromooxazole-4-carboxylate - CAS 1823371-63-6
Catalog: |
BB054481 |
Product Name: |
Methyl 5-bromooxazole-4-carboxylate |
CAS: |
1823371-63-6 |
Synonyms: |
METHYL5-BROMOOXAZOLE-4-CARBOXYLATE |
IUPAC Name: | methyl 5-bromo-1,3-oxazole-4-carboxylate |
Molecular Weight: | 205.99 |
Molecular Formula: | C5H4BrNO3 |
Canonical SMILES: | COC(=O)C1=C(OC=N1)Br |
InChI: | InChI=1S/C5H4BrNO3/c1-9-5(8)3-4(6)10-2-7-3/h2H,1H3 |
InChI Key: | YUEQNOHGDVHINH-UHFFFAOYSA-N |
Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.93746 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.93746 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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