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
   -4.8855   -0.3626    0.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9654    0.4250    0.5771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5446    0.2192    0.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6020    1.0966    0.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2606    0.8953    0.6677 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2142   -0.1397   -0.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7338   -0.9793   -0.6422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0815   -0.8176   -0.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6356   -0.3272   -0.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2018   -1.3110   -1.0746 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5116   -1.1530   -1.0484 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8223   -0.1010   -0.3163 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750    0.3950    0.1147 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1737    0.4059   -0.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9502   -0.1812    0.2751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7100   -1.2243   -0.5537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2696    1.2573    1.1929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9754    1.9242    1.5177 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4351    1.5898    1.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4014   -1.8045   -1.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7581   -1.5171   -0.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1461    0.8710    0.9636 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9205   -0.4037   -0.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4022    1.2429   -0.7558 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