Methyl 3-(3-bromo-4-hydroxyphenyl)-2-(hydroxyimino)-propanoate - CAS 83030-43-7
Catalog: |
BB060447 |
Product Name: |
Methyl 3-(3-bromo-4-hydroxyphenyl)-2-(hydroxyimino)-propanoate |
CAS: |
83030-43-7 |
Synonyms: |
(E) -3- Bromo- 4- hydroxy- α- (hydroxyimino) benzenepropanoic Acid Methyl Ester |
IUPAC Name: | methyl (2E)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyiminopropanoate |
Description: | Methyl 3-(3-bromo-4-hydroxyphenyl)-2-(hydroxyimino)-propanoate (CAS# 83030-43-7) is a useful research chemical compound. It is ued in the preparation oxidation-cyclization of bastadins. |
Molecular Weight: | 288.1 |
Molecular Formula: | C10H10BrNO4 |
Canonical SMILES: | COC(=O)C(=NO)CC1=CC(=C(C=C1)O)Br |
InChI: | InChI=1S/C10H10BrNO4/c1-16-10(14)8(12-15)5-6-2-3-9(13)7(11)4-6/h2-4,13,15H,5H2,1H3/b12-8+ |
InChI Key: | AMXHNFGHJPBXSJ-XYOKQWHBSA-N |
References: | Nishiyama, S., Yamamura, S., Tetrahedron Letters, 23, 1281-4 (1982). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 286.97932 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.97932 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 79.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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