Methyl 2-(4-bromo-3-methoxyphenoxy)propanoate

HCID 89649485

Notes Reactions

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Basic information

Standard SMILES: COC(=O)C(C)Oc1ccc(Br)c(OC)c1
InChIKey: YXQLHKGZGUKBAR-UHFFFAOYSA-N
Molecular formula: C11H13BrO4
Average molar mass: 289.12 g/mol

Names & identifiers

Preferred name: Methyl 2-(4-bromo-3-methoxyphenoxy)propanoate
IUPAC: methyl 2-(4-bromo-3-methoxyphenoxy)propanoate

Names & synonyms

SCHEMBL15057202YXQLHKGZGUKBAR-UHFFFAOYSA-NDB-171781methyl 2-(4-bromo-3-methoxyphenoxy)propanoate(+/-)-2-(4-Bromo-3-methoxy-phenoxy)-propionic acid methyl ester1445891-85-9

Database identifiers

PubChem CID: 89649485

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 44.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 234

Related reactions

2 records

New reaction record

HRID 1773966As productuspto-grants-2016_02

HRID 1773990As reactantuspto-grants-2016_02

Compound notes

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