Methyl 5-(4-Bromophenyl)isoxazole-3-carboxylate - CAS 517870-15-4
Catalog: |
BB027586 |
Product Name: |
Methyl 5-(4-Bromophenyl)isoxazole-3-carboxylate |
CAS: |
517870-15-4 |
Synonyms: |
5-(4-bromophenyl)-3-isoxazolecarboxylic acid methyl ester; methyl 5-(4-bromophenyl)-1,2-oxazole-3-carboxylate |
IUPAC Name: | methyl 5-(4-bromophenyl)-1,2-oxazole-3-carboxylate |
Description: | Methyl 5-(4-Bromophenyl)isoxazole-3-carboxylate (CAS# 517870-15-4) is a useful research chemical. |
Molecular Weight: | 282.09 |
Molecular Formula: | C11H8BrNO3 |
Canonical SMILES: | COC(=O)C1=NOC(=C1)C2=CC=C(C=C2)Br |
InChI: | InChI=1S/C11H8BrNO3/c1-15-11(14)9-6-10(16-13-9)7-2-4-8(12)5-3-7/h2-6H,1H3 |
InChI Key: | QDMKBPFKVHCOEZ-UHFFFAOYSA-N |
MDL: | MFCD03778968 |
LogP: | 2.89070 |
Publication Number | Title | Priority Date |
CN-107556259-B | Organic small molecule with recognition effect on ammonia water, aliphatic amine and aromatic amine and recognition method thereof | 20170919 |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 280.96876 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 280.96876 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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