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
    4.5840    1.4119   -0.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0538    0.2287   -0.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6039    0.0280   -0.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6899    1.0525   -0.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3415    0.8021   -0.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1674   -0.4663   -0.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7141   -1.5050   -0.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0726   -1.2630   -0.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6235   -0.6807   -0.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2403   -1.8721   -0.3372 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5632   -1.6404   -0.3280 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7824   -0.3476   -0.2247 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5993    0.2330   -0.1690 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1019    0.2597   -0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0521    2.3478    0.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6782    1.5285   -0.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6992   -0.6344   -0.1865 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0480    2.0748    0.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3307    1.6372   -0.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3193   -2.5040   -0.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7842   -2.0951   -0.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0403    1.0504    0.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3269    0.8312   -1.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8649   -0.4772    0.0749 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