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
    4.6326    1.2370   -0.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9844    0.1713    0.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5536   -0.0074    0.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7383    0.9768   -0.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3571    0.7529   -0.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1982   -0.4138    0.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6283   -1.3917    0.5742 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9962   -1.2085    0.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6307   -0.6174    0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3168   -1.7291    0.4596 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6033   -1.5098    0.2563 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7836   -0.3180   -0.2575 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5932    0.2289   -0.3828 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0148    0.3490   -0.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1129    2.0870   -0.5779 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7091    1.3326   -0.1238 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -0.6582    0.6117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1316    1.9260   -0.6823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2334    1.5693   -0.7384 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586   -2.3551    0.9449 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6653   -1.9642    0.9903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7001   -0.4064   -1.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4556    0.8592    0.2131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8298    1.0896   -1.4512 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