Monomers

2-Methyl-5-(4-vinylphenyl)-2H-tetrazole

Identifiers

IUPAC name
5-(4-ethenylphenyl)-2-methyltetrazole
InchI
InChI=1S/C10H10N4/c1-3-8-4-6-9(7-5-8)10-11-13-14(2)12-10/h3-7H,1H2,2H3
InchI Key
RAPBLXIJQCCPLL-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)c1nnn(n1)C
Canonical SMILES
CN1N=C(N=N1)C2=CC=C(C=C2)C=C
Isomeric SMILES
CN1N=C(N=N1)C2=CC=C(C=C2)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H10N4
Heavy Atom Count
14
Molecular Weight
186.218
Exact Molecular Weight
186.0905
Valence Electrons
70
Radical Electrons
0
tPSA
43.6
MolLogP
1.5201
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
2

MOL File


     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -3.3558   -3.0110   -1.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4112   -2.0065   -0.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2219   -1.2486   -0.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3455   -0.1812    0.6057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2723    0.6005    0.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0246    0.3371    0.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1253   -0.7008   -0.4262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9720   -1.4848   -0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1059    1.1646    0.8390 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0800    2.2092    1.6898 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2852    2.7374    1.8183 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0664    2.0112    1.0377 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3859    1.0669    0.4429 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4885    2.2250    0.8581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2399   -3.5754   -1.6698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4360   -3.2960   -1.8913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3824   -1.7704   -0.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3045    0.0483    1.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3799    1.4346    1.6729 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0703   -0.9627   -0.8719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8095   -2.2839   -1.4746 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9630    1.2097    0.9230 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6432    2.6493   -0.1617 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417    2.8275    1.6547 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
  8  3  1  0
 13  9  2  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  4 18  1  0
  5 19  1  0
  7 20  1  0
  8 21  1  0
 14 22  1  0
 14 23  1  0
 14 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers