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
    4.6622   -0.2461    0.9908 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0473   -0.1362   -0.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5986   -0.0847   -0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9614    0.0342   -1.4665 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5924    0.0859   -1.5747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2054    0.0212   -0.4436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3999   -0.0947    0.7764 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7668   -0.1452    0.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6679    0.0770   -0.5663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4014    0.1884   -1.6775 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6722    0.1989   -1.3058 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7812    0.0980    0.0084 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5282    0.0230    0.4557 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0188    0.0764    0.7718 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7589   -0.2876    1.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1555   -0.3054    1.9378 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6743   -0.0852   -1.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6216    0.0818   -2.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1313    0.1787   -2.5612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2059   -0.1457    1.6591 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1929   -0.2383    1.8736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7683   -0.5288    0.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8931   -0.4254    1.7483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4207    1.0798    0.9541 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