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
    4.8659   -0.1622    0.6243 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0071    0.2574   -0.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5674    0.1836   -0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7010    0.6448   -1.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3323    0.5984   -0.9405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2469    0.0852    0.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6049   -0.3719    1.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9788   -0.3269    1.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6973    0.0380    0.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4314   -0.4250    1.3554 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7279   -0.2850    1.0779 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7964    0.2571   -0.1046 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5822    0.4647   -0.5846 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0323    0.5872   -0.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9353   -0.0805    0.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5621   -0.5896    1.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3825    0.6749   -1.1953 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1675    1.0500   -1.9669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2683    0.9837   -1.7695 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1603   -0.7764    2.0676 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5945   -0.7014    1.8512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9269    0.2681   -1.8482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8871    0.0426   -0.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2630    1.6689   -0.7203 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