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
    4.6580    0.5920    1.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0430   -0.2279    0.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6010   -0.2293    0.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9630   -1.1370   -0.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5972   -1.1329   -0.8328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2221   -0.2653   -0.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3993    0.6265    0.6952 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7905    0.6390    0.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6824   -0.2877   -0.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3225   -1.1494   -1.1253 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6004   -0.9151   -1.0410 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7746    0.0820   -0.1810 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5995    0.4764    0.2776 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0556    0.6304    0.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2029    1.3416    1.6862 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7588    0.5596    1.1469 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6007   -0.9527   -0.2931 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6025   -1.8300   -1.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1627   -1.8605   -1.5138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1940    1.3293    1.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2296    1.3541    1.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9936    1.1345    1.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3508    1.3983   -0.5626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8137   -0.1757    0.1575 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