Basic information
- CAS
132172-95-3- Standard SMILES
O=C(Oc1ccc(-c2ccccc2)cc1)c1cnccn1- InChIKey
DZGWFELKBYEJSF-UHFFFAOYSA-N- Molecular formula
- C17H12N2O2
- Average molar mass
- 276.29 g/mol
- Monoisotopic mass
- 276.08987763
Names & identifiers
- Preferred name
- Pyrazinecarboxylic acid, (1,1'-biphenyl)-4-yl ester
- IUPAC
- (4-phenylphenyl) pyrazine-2-carboxylate
- English name
- 4-Biphenylyl pyrazinoate
- Molecular formula
- C17H12N2O2
- Molecular weight
- 276.29
Names & synonyms
4-Biphenylyl pyrazinoate132172-95-3Pyrazinecarboxylic acid, (1,1'-biphenyl)-4-yl esterBRN 5342338DTXSID60157408RefChem:375950DTXCID0079899(4-phenylphenyl) pyrazine-2-carboxylate4-Biphenyl Pyrazinoate[1,1'-biphenyl]-4-yl pyrazine-2-carboxylateCHEMBL2819922-Pyrazinecarboxylic acid, [1,1'-biphenyl]-4-yl ester
Database identifiers
- CAS
132172-95-3- PubChem CID
- 457280
- DTXSID
DTXSID60157408- ChEMBL
CHEMBL281992- Nikkaji
- J477.932K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Boiling point
- 456 · 456.0±35.0 °C(Predicted)
- Density
- 1.23 · 1.230±0.06 g/cm3(Predicted)
- pka
- -1.61 · -1.61±0.10(Predicted)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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