4-Bromo-3-(2-oxiranyl)-phenol 1-O-(2-Methoxyethoxymethyl) Ether - CAS 1796927-29-1
Catalog: |
BB071997 |
Product Name: |
4-Bromo-3-(2-oxiranyl)-phenol 1-O-(2-Methoxyethoxymethyl) Ether |
CAS: |
1796927-29-1 |
Synonyms: |
2-[2-Bromo-5-(2-methoxyethoxymethoxy)phenyl]oxirane; 4-Bromo-3-(2-oxiranyl)-phenol 1-O-(2-Methoxyethoxymethyl) Ether |
IUPAC Name: | 2-[2-bromo-5-(2-methoxyethoxymethoxy)phenyl]oxirane |
Description: | Intermediate in the preparation of 6-Bromo Phenylephrine an analogue of the α-adrenergic agonist, Phenylephrine (P320640). |
Molecular Weight: | 303.15 |
Molecular Formula: | C12H15BrO4 |
Canonical SMILES: | COCCOCOC1=CC(=C(C=C1)Br)C2CO2 |
InChI: | InChI=1S/C12H15BrO4/c1-14-4-5-15-8-17-9-2-3-11(13)10(6-9)12-7-16-12/h2-3,6,12H,4-5,7-8H2,1H3 |
InChI Key: | RYIZSIYTWRXWAN-UHFFFAOYSA-N |
Solubility: | Chloroform, Dichloromethane, Ethyl Acetate |
Appearance: | Yellow Liquid |
Storage: | Refrigerator |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 302.01537 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 302.01537 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 40.2Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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