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Basic Information
CAS No.: 114670-74-5
Name: 4-(3-FLUOROPHENYL)SEMICARBAZIDE
Article Data: 2
Molecular Structure:
Molecular Structure of 114670-74-5 (4-(3-FLUOROPHENYL)SEMICARBAZIDE)
Formula: C7H8FN3O
Molecular Weight: 169.16
Synonyms: N-(3-Fluorophenyl)hydrazinecarboxamide;4-(3-Fluorophenyl)semicarbazide;ZINC05226052;CID7567904;ST50824948;1-Amino-3-(3-fluorophenyl)urea;
Density: 1.378 g/cm3
Melting Point: 133-135 °C
Risk Codes: 20/21/22
Safety: 22-36/37/39
PSA: 67.15000
LogP: 1.98510
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Specification

The Hydrazinecarboxamide,N-(3-fluorophenyl)- with CAS registry number of 114670-74-5 is also known as N-(3-Fluorophenyl)hydrazinecarboxamide. The IUPAC name is 1-Amino-3-(3-fluorophenyl)urea. In addition, the formula is C7H8FN3O and the molecular weight is 169.16.

Physical properties about Hydrazinecarboxamide,N-(3-fluorophenyl)- are: (1)ACD/LogP: 0.61; (2)ACD/LogD (pH 5.5): 0.61; (3)ACD/LogD (pH 7.4): 0.61; (4)ACD/BCF (pH 5.5): 1.72; (5)ACD/BCF (pH 7.4): 1.72; (6)ACD/KOC (pH 5.5): 51.25; (7)ACD/KOC (pH 7.4): 51.37; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.618; (12)Molar Refractivity: 43.01 cm3; (13)Molar Volume: 122.7 cm3; (14)Surface Tension: 55.7 dyne/cm; (15)Density: 1.378 g/cm3.

When you are using this chemical, please be cautious about it. As a chemical, it is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. Do not breathe dust.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=CC(=C1)F)NC(=O)NN
2. InChI: InChI=1S/C7H8FN3O/c8-5-2-1-3-6(4-5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12)
3. InChIKey: ZLONJOJMYMIGAX-UHFFFAOYSA-N