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
    4.7792   -0.5527    0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0059    0.4955    0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5770    0.3772   -0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8424    1.5706   -0.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4747    1.4928   -0.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2352    0.3205   -0.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4981   -0.8404   -0.2838 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8831   -0.8049   -0.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7048    0.3141   -0.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4649    1.4203   -0.3524 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7229    1.0657   -0.4602 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7797   -0.2463   -0.5426 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5429   -0.6986   -0.4845 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0061   -1.0355   -0.6742 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3743   -1.5368   -0.0588 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8522   -0.4584    0.1075 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4711    1.4654    0.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3714    2.5170    0.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0768    2.4288   -0.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0248   -1.7901   -0.3767 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4348   -1.7507   -0.2050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8812   -0.4779   -0.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9240   -1.9954   -0.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2008   -1.2803   -1.7442 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