2,4-dichloro-6-(trifluoromethyl)quinazoline

• ChemBase ID: 287911
• Molecular Formular: C9H3Cl2F3N2
• Molecular Mass: 267.0347296
• Monoisotopic Mass: 265.96253813
• SMILES: FC(c1cc2c(Cl)nc(Cl)nc2cc1)(F)F
• Canonical SMILES: Clc1nc(Cl)c2c(n1)ccc(c2)C(F)(F)F
• InChI: InChI=1S/C9H3Cl2F3N2/c10-7-5-3-4(9(12,13)14)1-2-6(5)15-8(11)16-7/h1-3H
• InChIKey: LHVPNHJCJOCBIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-6-(trifluoromethyl)quinazoline
• IUPAC Traditional name: 2,4-dichloro-6-(trifluoromethyl)quinazoline
• Synonyms: 2,4-Dichloro-6-(trifluoromethyl)quinazoline

Database IDs

• CAS Number: 864291-30-5
• PubChem SID: 180673442
• PubChem CID: 34176212

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.035683
• LogD (pH = 7.4): 4.035683
• Log P: 4.035683
• Molar Refractivity: 56.1389 cm^3
• Polarizability: 21.244497 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%