6-chloroquinoline-2-carbaldehyde

• ChemBase ID: 306733
• Molecular Formular: C10H6ClNO
• Molecular Mass: 191.61374
• Monoisotopic Mass: 191.0137915
• SMILES: n1c2c(cc(cc2)Cl)ccc1C=O
• Canonical SMILES: O=Cc1ccc2c(n1)ccc(c2)Cl
• InChI: InChI=1S/C10H6ClNO/c11-8-2-4-10-7(5-8)1-3-9(6-13)12-10/h1-6H
• InChIKey: MDISQESZDBPYRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloroquinoline-2-carbaldehyde
• IUPAC Traditional name: 6-chloroquinoline-2-carbaldehyde
• Synonyms: 6-chloroquinoline-2-carbaldehyde

Database IDs

• CAS Number: 59394-26-2
• MDL Number: MFCD06824184

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1218631
• LogD (pH = 7.4): 3.121989
• Log P: 3.1219907
• Molar Refractivity: 50.9829 cm^3
• Polarizability: 20.704025 Å^3
• Polar Surface Area: 29.96 Å^2