3-chloro-N,2,2-trimethylpropanamide

• ChemBase ID: 308244
• Molecular Formular: C6H12ClNO
• Molecular Mass: 149.61858
• Monoisotopic Mass: 149.06074169
• SMILES: C(C(=O)NC)(CCl)(C)C
• Canonical SMILES: ClCC(C(=O)NC)(C)C
• InChI: InChI=1S/C6H12ClNO/c1-6(2,4-7)5(9)8-3/h4H2,1-3H3,(H,8,9)
• InChIKey: GWZDRCUOLUCSJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-N,2,2-trimethylpropanamide
• IUPAC Traditional name: 3-chloro-N,2,2-trimethylpropanamide
• Synonyms: 3-chloro-N,2,2-trimethylpropanamide

Database IDs

• CAS Number: 73434-12-5
• MDL Number: MFCD11053938

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.0667448
• LogD (pH = 7.4): 1.0667448
• Log P: 1.0667449
• Molar Refractivity: 37.8907 cm^3
• Polarizability: 14.848395 Å^3
• Polar Surface Area: 29.1 Å^2