2,4-dichloro-6-nitroquinazoline

• ChemBase ID: 289636
• Molecular Formular: C8H3Cl2N3O2
• Molecular Mass: 244.03432
• Monoisotopic Mass: 242.96023171
• SMILES: O=[N+](c1cc2c(Cl)nc(Cl)nc2cc1)[O-]
• Canonical SMILES: Clc1nc(Cl)c2c(n1)ccc(c2)[N+](=O)[O-]
• InChI: InChI=1S/C8H3Cl2N3O2/c9-7-5-3-4(13(14)15)1-2-6(5)11-8(10)12-7/h1-3H
• InChIKey: HGHPXBLOAQXDCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-6-nitroquinazoline
• IUPAC Traditional name: 2,4-dichloro-6-nitroquinazoline
• Synonyms: 2,4-Dichloro-6-nitroquinazoline; QUINAZOLINE, 2,4-DICHLORO-6-NITRO

Database IDs

• CAS Number: 74173-77-6
• MDL Number: MFCD08460251
• PubChem SID: 180675167
• PubChem CID: 12703366

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0978189
• LogD (pH = 7.4): 3.0978189
• Log P: 3.0978189
• Molar Refractivity: 56.4857 cm^3
• Polarizability: 21.965298 Å^3
• Polar Surface Area: 68.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%