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
   -4.6463    0.0042    1.3840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0388    0.2840    0.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5939    0.2146    0.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0007    0.5280   -1.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6353    0.4736   -1.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2184    0.1110   -0.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3501   -0.1995    0.9574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7360   -0.1453    1.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6707    0.0595   -0.4617 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3502    0.3307   -1.5710 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6349    0.1594   -1.3196 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497   -0.2168   -0.0576 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5463   -0.2830    0.4850 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0159   -0.5072    0.6074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7330    0.0576    1.4853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0697   -0.2901    2.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6335    0.5850   -0.6144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6640    0.8129   -1.9126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2281    0.7296   -2.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3253   -0.4826    1.7526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1122   -0.4009    2.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2696   -1.5710    0.4251 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8148    0.1103    0.1978 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8458   -0.3643    1.6913 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