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
   -4.6255    1.4851    0.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0595    0.3132    0.1434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6149    0.1094    0.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6951    1.1265    0.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3203    0.8982    0.1796 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1693   -0.3751    0.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7468   -1.4107   -0.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0981   -1.1750    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6041   -0.6443    0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1740   -1.8577   -0.0786 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4909   -1.7470   -0.0743 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7769   -0.4501    0.0409 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6218    0.2301    0.1069 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1196    0.0598    0.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6983    1.5801    0.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0469    2.4053    0.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6972   -0.5639    0.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0408    2.1391    0.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3622    1.7322    0.2515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3428   -2.4154   -0.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7772   -2.0041   -0.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4360    0.2393   -0.9663 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8118   -0.6933    0.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1967    1.0184    0.6286 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