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
   -4.7372    1.2638    0.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750    1.1110   -0.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007    0.7094   -0.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9784    0.4553    0.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6476    0.0725    1.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2236   -0.0741    0.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.1809   -1.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6071    0.5582   -1.3472 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6140   -0.4741    0.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1912   -0.7378    1.4650 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4565   -1.0704    1.2828 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7226   -1.0298   -0.0046 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6017   -0.6683   -0.5978 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9987   -1.3225   -0.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7713    1.5640    0.2571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4644    1.0985    1.4478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2339    1.3003   -1.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6298    0.5567    1.8532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2650   -0.1209    2.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3950    0.0643   -2.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0103    0.7564   -2.3305 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7842   -0.8716   -0.0658 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0825   -2.4284   -0.6651 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508   -0.8937   -1.6836 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