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
   -4.8786   -0.1714   -0.3868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8748   -1.0097   -0.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5115   -0.5217   -0.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1553    0.7886   -0.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8271    1.1953   -0.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828    0.2621   -0.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1826   -1.0553   -0.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4925   -1.4575   -0.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5894    0.6346   -0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1037    1.8764    0.1212 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4229    1.7910    0.1621 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7839    0.5192    0.0277 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6684   -0.1674   -0.0954 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1535    0.0182    0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7984    0.9009   -0.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8896   -0.5903   -0.4747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0749   -2.0615   -0.5764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9419    1.5493   -0.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6098    2.2481    0.0597 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6088   -1.8019   -0.3654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7104   -2.5187   -0.5384 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5756    0.0907   -1.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1298   -1.0676    0.2654 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7286    0.5484    0.7811 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