2-Phenoxy-pyrimidine-4-carboxylic acid methyl ester

HCID 20587733

Notes Reactions

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Basic information

CAS: 503072-48-8
Standard SMILES: COC(=O)c1ccnc(Oc2ccccc2)n1
InChIKey: ONLQTQQQTMANMX-UHFFFAOYSA-N
Molecular formula: C12H10N2O3
Average molar mass: 230.22 g/mol
Monoisotopic mass: 230.06914218

Names & identifiers

Preferred name: 2-Phenoxy-pyrimidine-4-carboxylic acid methyl ester
IUPAC: methyl 2-phenoxypyrimidine-4-carboxylate

Names & synonyms

methyl 2-phenoxypyrimidine-4-carboxylate503072-48-82-phenoxy-pyrimidine-4-carboxylic acid methyl esterSCHEMBL4859054ONLQTQQQTMANMX-UHFFFAOYSA-NDTXSID3012156434-Pyrimidinecarboxylic acid, 2-phenoxy-, methyl ester

Database identifiers

CAS: 503072-48-8
PubChem CID: 20587733
DTXSID: DTXSID301215643

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 61.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 254

Related reactions

15 records

New reaction record

HRID 7646As reactantuspto-grants-2006_08

HRID 22671As productuspto-grants-2005_02

HRID 22672As reactantuspto-grants-2005_02

HRID 184485As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 315606As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 413036As productuspto-grants-2003_05

HRID 413037As reactantuspto-grants-2003_05

HRID 1061610As productuspto-grants-2005_11

Compound notes

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