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
   -4.9300    0.0785    0.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9135   -0.7419    0.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5129   -0.3525    0.3579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5542   -1.3356    0.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2275   -1.0079    0.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1985    0.2566    0.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7491    1.2225   -0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1102    0.9234    0.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6372    0.5574   -0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1923    1.7430   -0.3868 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5026    1.5685   -0.4211 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8169    0.3084   -0.1510 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6608   -0.3011    0.0536 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1388   -0.2954   -0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7398    1.1157    0.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9305   -0.3059    0.5404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1556   -1.7896    0.7792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8598   -2.3602    0.7796 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5084   -1.7785    0.5128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4956    2.2278   -0.3456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8456    1.7039   -0.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4232   -0.3888    0.9750 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8694    0.2730   -0.6920 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0763   -1.3214   -0.5254 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