Basic information
- CAS
76578-02-4- Standard SMILES
COC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)c(Cl)cc3n2)cc1- InChIKey
IHYXEMLIBSINKU-UHFFFAOYSA-N- Molecular formula
- C18H14Cl2N2O4
- Average molar mass
- 393.2 g/mol
- Monoisotopic mass
- 392.03306229
Names & identifiers
- Preferred name
- Propanoic acid, 2-(4-((6,7-dichloro-2-quinoxalinyl)oxy)phenoxy)-, methyl ester
- IUPAC
- methyl 2-[4-(6,7-dichloroquinoxalin-2-yl)oxyphenoxy]propanoate
Names & synonyms
76578-02-4Methyl 2-(4-((6,7-dichloro-2-quinoxalinyl)oxy)phenoxy)propanoatePropanoic acid, 2-(4-((6,7-dichloro-2-quinoxalinyl)oxy)phenoxy)-, methyl esterRefChem:374679SCHEMBL10882047DTXSID90997915IHYXEMLIBSINKU-UHFFFAOYSA-NMethyl 2-[4-(6,7-dichloro-2-quinoxalinyloxy)phenoxy]propanoateMethyl 2-{4-[(6,7-dichloroquinoxalin-2-yl)oxy]phenoxy}propanoate
Database identifiers
- CAS
76578-02-4- PubChem CID
- 187100
- DTXSID
DTXSID90997915
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 476
Related reactions
2 records
Compound notes
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