Methyl 3-Bromo-5-cyclopropylisoxazole-4-carboxylate - CAS 2091142-15-1
Catalog: |
BB016410 |
Product Name: |
Methyl 3-Bromo-5-cyclopropylisoxazole-4-carboxylate |
CAS: |
2091142-15-1 |
Synonyms: |
3-bromo-5-cyclopropyl-4-isoxazolecarboxylic acid methyl ester; methyl 3-bromo-5-cyclopropyl-1,2-oxazole-4-carboxylate |
IUPAC Name: | methyl 3-bromo-5-cyclopropyl-1,2-oxazole-4-carboxylate |
Description: | Methyl 3-Bromo-5-cyclopropylisoxazole-4-carboxylate (CAS# 2091142-15-1 ) is a useful research chemical. |
Molecular Weight: | 246.06 |
Molecular Formula: | C8H8BrNO3 |
Canonical SMILES: | COC(=O)C1=C(ON=C1Br)C2CC2 |
InChI: | InChI=1S/C8H8BrNO3/c1-12-8(11)5-6(4-2-3-4)13-10-7(5)9/h4H,2-3H2,1H3 |
InChI Key: | IHZHYSZTPYOQLY-UHFFFAOYSA-N |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.96876 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.96876 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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