Input interpretation
2-chloro-6-methoxyphenylboronic acid
Chemical names and formulas
formula | ClC_6H_3(OCH_3)B(OH)_2 Hill formula | C_7H_8BClO_3 name | 2-chloro-6-methoxyphenylboronic acid IUPAC name | (2-chloro-6-methoxyphenyl)boronic acid alternate names | (2-chloro-6-methoxy-phenyl)boronic acid | (2-chloro-6-methoxyphenyl)boronic acid mass fractions | B (boron) 5.8% | C (carbon) 45.1% | Cl (chlorine) 19% | H (hydrogen) 4.33% | O (oxygen) 25.7%
Lewis structure
Draw the Lewis structure of 2-chloro-6-methoxyphenylboronic acid. Start by drawing the overall structure of the molecule, ignoring potential double and triple bonds: Count the total valence electrons of the boron (n_B, val = 3), carbon (n_C, val = 4), chlorine (n_Cl, val = 7), hydrogen (n_H, val = 1), and oxygen (n_O, val = 6) atoms: n_B, val + 7 n_C, val + n_Cl, val + 8 n_H, val + 3 n_O, val = 64 Calculate the number of electrons needed to completely fill the valence shells for boron (n_B, full = 6), carbon (n_C, full = 8), chlorine (n_Cl, full = 8), hydrogen (n_H, full = 2), and oxygen (n_O, full = 8): n_B, full + 7 n_C, full + n_Cl, full + 8 n_H, full + 3 n_O, full = 110 Subtracting these two numbers shows that 110 - 64 = 46 bonding electrons are needed. Each bond has two electrons, so in addition to the 20 bonds already present in the diagram add 3 bonds. To minimize formal charge carbon wants 4 bonds. Identify the atoms that want additional bonds and the number of electrons remaining on each atom: Fill in the 3 bonds by pairing electrons between adjacent highlighted atoms. Note that the six atom ring is aromatic, so that the single and double bonds may be rearranged: Answer: | |
Basic properties
molar mass | 186.4 g/mol phase | solid (at STP) melting point | 163.5 °C
Units
Chemical identifiers
CAS number | 385370-80-9 PubChem CID number | 3378271 PubChem SID number | 24873654 SMILES identifier | B(C1=C(C=CC=C1Cl)OC)(O)O InChI identifier | InChI=1/C7H8BClO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4, 10-11H, 1H3 MDL number | MFCD04039878