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
   -4.7511    0.5349    0.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9798    0.1146   -0.6063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5299    0.1056   -0.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9098    0.5427    0.6390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5176    0.5020    0.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538    0.0489   -0.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3879   -0.3924   -1.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7556   -0.3622   -1.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7200    0.0238   -0.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5741   -0.3959   -1.2446 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8031   -0.2527   -0.7778 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7810    0.2413    0.4329 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5029    0.4107    0.7288 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8879    0.5628    1.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3360    0.8937    1.2703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8367    0.5097    0.1878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4647   -0.2442   -1.5314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4224    0.9183    1.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0321    0.8464    1.5606 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1587   -0.7663   -2.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2963   -0.6943   -2.4336 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5876    1.2652    2.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2934   -0.3500    1.7631 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6571    1.0582    0.6645 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