(2-fluoro-4-methanesulfonylphenyl)hydrazine

• ChemBase ID: 12287
• Molecular Formular: C7H9FN2O2S
• Molecular Mass: 204.2219632
• Monoisotopic Mass: 204.03687676
• SMILES: N(N)c1c(cc(cc1)S(=O)(=O)C)F
• Canonical SMILES: NNc1ccc(cc1F)S(=O)(=O)C
• InChI: InChI=1S/C7H9FN2O2S/c1-13(11,12)5-2-3-7(10-9)6(8)4-5/h2-4,10H,9H2,1H3
• InChIKey: IOOKDEPCDHCNSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-fluoro-4-methanesulfonylphenyl)hydrazine
• IUPAC Traditional name: (2-fluoro-4-methanesulfonylphenyl)hydrazine
• Synonyms: [2-Fluoro-4-(methylsulfonyl)phenyl]hydrazine; 2-Fluoro-4-(methylsulphonyl)phenylhydrazine

Database IDs

• CAS Number: 832714-48-4
• MDL Number: MFCD04037953
• PubChem SID: 160975594
• PubChem CID: 2782739

CALCULATED PROPERTIES

• Acid pKa: 14.284804
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.32145616
• LogD (pH = 7.4): 0.34713155
• Log P: 0.3478989
• Molar Refractivity: 49.9847 cm^3
• Polarizability: 18.646303 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 102-104°C

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon/Keep Cold
• TSCA Listed: false