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
    4.6793    0.7774    0.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0035    0.1676   -0.4683 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5628    0.0469   -0.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8408    0.5703    0.6037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4443    0.4426    0.6219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2229   -0.2034   -0.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4863   -0.7311   -1.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8669   -0.6070   -1.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6921   -0.3249   -0.3444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875   -0.9220   -1.2453 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7547   -0.8045   -0.8230 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7684   -0.1456    0.3242 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5100    0.1450    0.6128 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9324    0.2100    1.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2319    1.2268    1.3339 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7554    0.8349    0.3905 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5319   -0.2746   -1.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2760    1.0959    1.4424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1248    0.8547    1.4362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0160   -1.2421   -2.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4700   -1.0085   -2.2487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2242    1.2686    0.9007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7384   -0.4684    0.8619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6777    0.1760    2.2269 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