Completing data — usually done within a minute
Basic information
- CAS
78104-71-9- Standard SMILES
COC(=O)C(C)Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1- InChIKey
NPUWJNOFOGQLSR-UHFFFAOYSA-N- Molecular formula
- C18H15ClN2O4
- Average molar mass
- 358.8 g/mol
- Monoisotopic mass
- 358.07203464
Names & identifiers
- Preferred name
- Propanoic acid, 2-(4-((7-chloro-2-quinoxalinyl)oxy)phenoxy)-, methyl ester
- IUPAC
- methyl 2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
Names & synonyms
78104-71-9Propanoic acid, 2-(4-((7-chloro-2-quinoxalinyl)oxy)phenoxy)-, methyl esterPropanoic acid, 2-[4-[(7-chloro-2-quinoxalinyl)oxy]phenoxy]-, methyl esterXB-947CHEMBL300003SCHEMBL8880041NPUWJNOFOGQLSR-UHFFFAOYSA-NDTXSID001358503METHYL 2-{4-[(7-CHLOROQUINOXALIN-2-YL)OXY]PHENOXY}PROPANOATEDA-21103methyl 2-[4-(7-chloro-2-quinoxalinyloxy)phenoxy]propionateRacemic Methyl 2-[4-(7-chloroquinoxalinyloxy)phenoxy]propionate
Database identifiers
- CAS
78104-71-9- PubChem CID
- 157156
- DTXSID
DTXSID001358503- ChEMBL
CHEMBL300003- Nikkaji
- J1.262.245G
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 445
Related reactions
3 records
Compound notes
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