Dimethyl 2-(3-bromo-5-formyl-4-((2-methoxyethoxy)methoxy)phenyl)succinate

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Basic information

CAS: 878673-54-2
Standard SMILES: COCCOCOc1c(Br)cc(C(CC(=O)OC)C(=O)OC)cc1C=O
InChIKey: JDWSPMMHRZPBEH-UHFFFAOYSA-N
Molecular formula: C17H21BrO8
Average molar mass: 433.2 g/mol
Monoisotopic mass: 432.04198

Names & identifiers

Preferred name: Dimethyl 2-(3-bromo-5-formyl-4-((2-methoxyethoxy)methoxy)phenyl)succinate
IUPAC: dimethyl 2-[3-bromo-5-formyl-4-(2-methoxyethoxymethoxy)phenyl]butanedioate
English name: Butanedioic acid, 2-[3-broMo-5-forMyl-4-[(2-Methoxyethoxy)Methoxy]phenyl]-, 1,4-diMethyl ester
Molecular formula: C17H21BrO8
Molecular weight: 433.25

Names & synonyms

878673-54-2Dimethyl 2-(3-bromo-5-formyl-4-((2-methoxyethoxy)methoxy)phenyl)succinatedimethyl 2-[3-bromo-5-formyl-4-(2-methoxyethoxymethoxy)phenyl]butanedioateDTXSID20856086Dimethyl2-(3-bromo-5-formyl-4-((2-methoxyethoxy)methoxy)phenyl)succinateDimethyl 2-{3-bromo-5-formyl-4-[(2-methoxyethoxy)methoxy]phenyl}butanedioateButanedioic acid, 2-[3-broMo-5-forMyl-4-[(2-Methoxyethoxy)Methoxy]phenyl]-, 1,4-diMethyl ester

Database identifiers

CAS: 878673-54-2
PubChem CID: 71464321
DTXSID: DTXSID20856086

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 97.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 13
Heavy atoms: 26
Formal charge: 0
Complexity: 458

Physicochemical properties

Boiling point: 502.9 · 502.9±50.0 °C(Predicted)
Density: 1.397 · 1.397±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C

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Compound notes

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