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
    4.6441   -1.0583    0.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0308    0.0468   -0.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5840    0.1074   -0.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7700   -0.9511    0.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943   -0.8298    0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1843    0.3716   -0.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6381    1.4385   -0.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9909    1.3241   -0.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6224    0.5402   -0.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2897    1.6671   -0.5110 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5870    1.3981   -0.4408 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7814    0.1360   -0.0985 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5729   -0.3793    0.0442 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0699   -0.5325    0.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1682   -1.9782    0.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7312   -1.0698    0.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6073    0.9325   -0.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2082   -1.9311    0.4763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1947   -1.7134    0.4117 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1630    2.3777   -0.6982 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5815    2.1988   -0.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8234    0.2470    0.2081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3168   -1.1754   -0.7789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0688   -1.1670    1.0001 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