2-chloro-6-[(3-chlorophenyl)methoxy]pyrazine

• ChemBase ID: 279321
• Molecular Formular: C11H8Cl2N2O
• Molecular Mass: 255.10002
• Monoisotopic Mass: 254.00136825
• SMILES: n1c(OCc2cc(Cl)ccc2)cncc1Cl
• Canonical SMILES: Clc1cccc(c1)COc1cncc(n1)Cl
• InChI: InChI=1S/C11H8Cl2N2O/c12-9-3-1-2-8(4-9)7-16-11-6-14-5-10(13)15-11/h1-6H,7H2
• InChIKey: UOCCVVGLNZWUSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-[(3-chlorophenyl)methoxy]pyrazine
• IUPAC Traditional name: 2-chloro-6-[(3-chlorophenyl)methoxy]pyrazine
• Synonyms: 2-chloro-6-[(3-chlorophenyl)methoxy]pyrazine

Database IDs

• MDL Number: MFCD20233651
• PubChem SID: 164335231
• PubChem CID: 22481986

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1274266
• LogD (pH = 7.4): 3.1274269
• Log P: 3.1274269
• Molar Refractivity: 63.8044 cm^3
• Polarizability: 24.509695 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.445

Product Information

• Purity: 95%