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
    4.7596    1.1514   -0.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0432    0.1877    0.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5945    0.2075   -0.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8653   -0.8416    0.5523 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4900   -0.8850    0.5279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2453    0.1123   -0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4664    1.1437   -0.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8609    1.1998   -0.6217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7134    0.0823   -0.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4956    1.0163   -0.6725 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7696    0.6334   -0.4981 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8052   -0.5137    0.1602 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5508   -0.8394    0.3925 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0161   -1.2446    0.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3707    2.0149   -1.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8627    1.1421   -0.4449 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5671   -0.6239    0.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4559   -1.6314    1.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0526   -1.7084    0.9819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1015    1.9313   -1.1128 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3821    2.0392   -1.0857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9663   -2.3023    0.2274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1125   -1.2516    1.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8896   -0.7255    0.1477 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