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
   -3.7400   -1.8392    2.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3514   -1.7362    1.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0997   -1.1267    0.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7476    0.1557    0.8270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5360    0.6822    0.3801 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2952   -0.2278   -0.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0209   -1.5248   -0.5078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2526   -2.0064   -0.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5694    0.3005   -0.8038 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5399   -0.3637   -1.4826 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4773    0.5064   -1.7466 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1441    1.6906   -1.2667 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9742    1.5625   -0.6868 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8375    2.9672   -1.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7160   -1.7376    3.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8537   -2.4313    2.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9523   -2.1193    0.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4019    0.8486    1.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2255    1.6989    0.5177 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6516   -2.2235   -1.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4948   -3.0181   -0.2087 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9154    3.3105   -0.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1934    3.7148   -1.8345 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7944    2.9167   -1.8398 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