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
    4.7621   -0.0604    0.5376 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9958   -0.7216   -0.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5541   -0.5257   -0.3107 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8916    0.3329    0.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5154    0.4790    0.4887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2614   -0.2254   -0.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3858   -1.0885   -1.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7551   -1.2339   -1.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7047   -0.0585   -0.4409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5235   -0.7194   -1.2943 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7454   -0.3256   -1.0451 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7552    0.5582   -0.0714 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4943    0.7165    0.2944 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9340    1.2160    0.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4162    0.6460    1.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8511   -0.2407    0.5038 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4325   -1.4185   -1.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    0.9152    1.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0160    1.1623    1.1668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2100   -1.6476   -1.9676 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2808   -1.9192   -1.8895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6247    1.5268   -0.3457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5777    2.1187    1.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4495    0.5133    1.1674 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