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31462-55-2

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Basic Information
CAS No.: 31462-55-2
Name: Pyrimidine, 4-fluoro- (8CI,9CI)
Molecular Structure:
Molecular Structure of 31462-55-2 (Pyrimidine, 4-fluoro- (8CI,9CI))
Formula: C4H3FN2
Molecular Weight: 98.03
Synonyms: Pyrimidine, 4-fluoro-
Density: 1.225 g/cm3
Boiling Point: 128.988 °C at 760 mmHg
Flash Point: 31.811 °C
PSA: 15.79000
LogP: 2.30700
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Specification

The CAS register number of Pyrimidine, 4-fluoro- is 31462-55-2. The systematic name about this chemical is 4-fluoropyrimidine. The molecular formula about this chemical is C4H3FN2 and the molecular weight is 98.0784232. It belongs to the following product categories which include Pyrimidine; Fluorinated heterocyclic series and so on.

Physical properties about Pyrimidine, 4-fluoro- are: (1)ACD/LogP: 0.38; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 17; (5)ACD/KOC (pH 7.4): 17; (6)#H bond acceptors: 2; (7)Polar Surface Area: 25.78Å2; (8)Index of Refraction: 1.472; (9)Molar Refractivity: 22.429 cm3; (10)Molar Volume: 80.091 cm3; (11)Polarizability: 8.892x10-24cm3; (12)Surface Tension: 41.025 dyne/cm3; (13)Flash Point: 31.811 °C; (14)Enthalpy of Vaporization: 35.154 kJ/mol; (15)Boiling Point: 128.988 °C at 760 mmHg; (16)Vapour Pressure: 12.651 mmHg at 25°C .

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccncn1
(2)InChI: InChI=1/C4H3FN2/c5-4-1-2-6-3-7-4/h1-3H
(3)InChIKey: ZBCSZYVDLLOFMU-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C4H3FN2/c5-4-1-2-6-3-7-4/h1-3H
(5)Std. InChIKey: ZBCSZYVDLLOFMU-UHFFFAOYSA-N