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
   -4.6091    0.4386    1.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0147   -0.0667    0.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5920   -0.1068   -0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7155    0.3991    0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3616    0.3363    0.6834 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1941   -0.2184   -0.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6604   -0.7279   -1.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0280   -0.6651   -1.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6424   -0.2602   -0.6249 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3359   -0.7594   -1.6569 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6290   -0.5940   -1.4118 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.0031   -0.2530 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5665    0.2030    0.2330 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0138    0.3859    0.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7000    0.4562    1.2627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0961    0.8838    2.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6524   -0.4834   -0.6668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0792    0.8389    1.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2831    0.7440    1.4494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2098   -1.1591   -2.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6746   -1.0771   -1.9671 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2809   -0.4358    1.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8061    0.5840   -0.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483    1.2870    1.0723 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