Input interpretation
nuarimol
Chemical names and formulas
formula | C_17H_12ClFN_2O name | nuarimol IUPAC name | (2-chlorophenyl)-(4-fluorophenyl)-pyrimidin-5-yl-methanol mass fractions | C (carbon) 64.9% | Cl (chlorine) 11.3% | F (fluorine) 6.04% | H (hydrogen) 3.84% | N (nitrogen) 8.9% | O (oxygen) 5.08%
Lewis structure
Draw the Lewis structure of nuarimol. Start by drawing the overall structure of the molecule, ignoring potential double and triple bonds: Count the total valence electrons of the carbon (n_C, val = 4), chlorine (n_Cl, val = 7), fluorine (n_F, val = 7), hydrogen (n_H, val = 1), nitrogen (n_N, val = 5), and oxygen (n_O, val = 6) atoms: 17 n_C, val + n_Cl, val + n_F, val + 12 n_H, val + 2 n_N, val + n_O, val = 110 Calculate the number of electrons needed to completely fill the valence shells for carbon (n_C, full = 8), chlorine (n_Cl, full = 8), fluorine (n_F, full = 8), hydrogen (n_H, full = 2), nitrogen (n_N, full = 8), and oxygen (n_O, full = 8): 17 n_C, full + n_Cl, full + n_F, full + 12 n_H, full + 2 n_N, full + n_O, full = 200 Subtracting these two numbers shows that 200 - 110 = 90 bonding electrons are needed. Each bond has two electrons, so in addition to the 36 bonds already present in the diagram add 9 bonds. To minimize formal charge nitrogen wants 3 bonds and carbon wants 4 bonds. Identify the atoms that want additional bonds and the number of electrons remaining on each atom: Fill in the 9 bonds by pairing electrons between adjacent highlighted atoms. Note that the six atom rings are aromatic, so that the single and double bonds may be rearranged: Answer: | |
3D structure
3D structure
Basic properties
molar mass | 314.74 g/mol phase | liquid (at STP) boiling point | 475 °C solubility in water | insoluble
Units
Liquid properties (at STP)
vapor pressure | 7.8×10^-10 mmHg (at 25 °C)
Units
Thermodynamic properties
molar heat of vaporization | 77.8 kJ/mol specific heat of vaporization | 0.247 kJ/g (at STP)
Chemical identifiers
CAS number | 63284-71-9 Beilstein number | 6223667 PubChem CID number | 91683 SMILES identifier | C1=CC=C(C(=C1)C(C2=CC=C(C=C2)F)(C3=CN=CN=C3)O)Cl InChI identifier | InChI=1/C17H12ClFN2O/c18-16-4-2-1-3-15(16)17(22, 13-9-20-11-21-10-13)12-5-7-14(19)8-6-12/h1-11, 22H EU number | 264-071-1 RTECS number | UV9279700
Safety properties
flash point | 241 °C
Toxicity properties
RTECS classes | agricultural chemical and pesticide