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

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
   -4.8984    0.0328    0.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9853    0.5619   -0.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5628    0.2913   -0.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6475    0.8893   -1.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2905    0.6848   -0.9680 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2323   -0.1294    0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6698   -0.7231    0.8668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0488   -0.5215    0.7588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6791   -0.3496    0.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2959   -1.1182    1.0499 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6101   -1.0834    0.8638 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8188   -0.2893   -0.1706 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6475    0.1710   -0.6306 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1159    0.0262   -0.7127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6732   -0.6224    1.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9348    0.2604    0.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3252    1.2183   -1.2122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0413    1.5290   -1.8547 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4177    1.1628   -1.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2709   -1.3615    1.6372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7267   -1.0088    1.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9601    0.1846   -1.8190 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022    1.0065   -0.3196 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7954   -0.8118   -0.5142 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