4-fluoro-N-methylbenzohydrazide

• ChemBase ID: 99240
• Molecular Formular: C8H9FN2O
• Molecular Mass: 168.1682632
• Monoisotopic Mass: 168.06989114
• SMILES: N(C(=O)c1ccc(cc1)F)(N)C
• Canonical SMILES: CN(C(=O)c1ccc(cc1)F)N
• InChI: InChI=1S/C8H9FN2O/c1-11(10)8(12)6-2-4-7(9)5-3-6/h2-5H,10H2,1H3
• InChIKey: RINJRPOTTYANET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-N-methylbenzohydrazide
• IUPAC Traditional name: 4-fluoro-N-methylbenzohydrazide
• Synonyms: 4-Fluoro-N-methylbenzohydrazide; 4-Fluorobenzoic acid N-methylhydrazide

Database IDs

• CAS Number: 94401-21-5
• MDL Number: MFCD08461627
• PubChem SID: 162085526
• PubChem CID: 45075708

CALCULATED PROPERTIES

• LogD (pH = 7.4): 0.89375764
• Log P: 0.8937884
• Molar Refractivity: 44.7336 cm^3
• Polarizability: 16.133856 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8913516

PROPERTIES

Physical Property

• Melting Point: 73.4-75.5°C
• Flash Point: >110°C

Safety Information

• Storage Warning: Irritant