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
    4.6680    1.0427   -0.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0318   -0.1001   -0.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5739   -0.1978   -0.2571 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9738   -1.4353   -0.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5933   -1.5922   -0.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2057   -0.4803   -0.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3940    0.7571   -0.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7840    0.9116   -0.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6582   -0.5849   -0.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4124   -1.6947    0.0145 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6816   -1.3288    0.0432 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7699   -0.0153   -0.0244 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5464    0.4300   -0.0952 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0221    0.7131   -0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2022    2.0146   -0.4397 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7442    1.0388   -0.4455 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6309   -1.0054   -0.2916 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5929   -2.3071   -0.1437 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1274   -2.5473   -0.0364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2145    1.6588   -0.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1882    1.9243   -0.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2581    1.0735   -1.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8860    1.6077    0.6271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8498    0.1169    0.3676 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