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
   -4.7763    0.7729    0.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7703    0.4589    1.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4300    0.3098    0.8113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625   -0.0300    1.6393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1194   -0.1640    1.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1578    0.0193   -0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8876    0.3548   -1.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1537    0.4925   -0.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5274   -0.1441   -0.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9196    0.0076   -2.0072 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2289   -0.2212   -2.0674 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6773   -0.5173   -0.8429 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6218   -0.4651   -0.0383 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0529   -0.8317   -0.4833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6920    0.9408   -0.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7604    0.8766    1.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9102    0.2995    2.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5482   -0.1780    2.6800 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7143   -0.4319    1.7671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6787    0.5005   -2.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9282    0.7597   -1.2413 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0766   -1.0196    0.6101 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3172   -1.7860   -0.9752 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7238   -0.0040   -0.7390 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