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
   -4.6719    0.5657    0.6634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9463   -0.5166    0.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -0.4444    0.3524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8029   -1.6318    0.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4398   -1.6593    0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2439   -0.4461    0.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4184    0.7482    0.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8057    0.7344    0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6947   -0.4247   -0.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5285   -1.4654   -0.2864 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7740   -0.9985   -0.3983 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130    0.3224   -0.3068 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4546    0.6743   -0.1411 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8513    1.2471   -0.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2822    1.5645    0.6829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7408    0.4612    0.7784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4601   -1.4816    0.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3802   -2.5725    0.2017 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0944   -2.5884   -0.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1084    1.6906    0.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3110    1.6887    0.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7790    1.8281   -1.3186 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7223    1.9770    0.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8034    0.7270   -0.2379 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