2-chloro-6-(dimethylamino)benzaldehyde

• ChemBase ID: 244948
• Molecular Formular: C9H10ClNO
• Molecular Mass: 183.6348
• Monoisotopic Mass: 183.04509163
• SMILES: c1(c(N(C)C)cccc1Cl)C=O
• Canonical SMILES: O=Cc1c(Cl)cccc1N(C)C
• InChI: InChI=1S/C9H10ClNO/c1-11(2)9-5-3-4-8(10)7(9)6-12/h3-6H,1-2H3
• InChIKey: HWZUGJLCRJPTPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(dimethylamino)benzaldehyde
• IUPAC Traditional name: 2-chloro-6-(dimethylamino)benzaldehyde
• Synonyms: 2-chloro-6-(dimethylamino)benzaldehyde

Database IDs

• MDL Number: MFCD11156407
• PubChem SID: 164300858
• PubChem CID: 28603779

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3978193
• LogD (pH = 7.4): 2.3978364
• Log P: 2.3978367
• Molar Refractivity: 51.8754 cm^3
• Polarizability: 18.931686 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 26 - 28°C
• Hydrophobicity(logP): 2.824

Product Information

• Purity: 95%