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
    4.6937    0.5170    0.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0457   -0.2577   -0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5824   -0.2579   -0.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8088    0.5524    0.6495 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4127    0.5095    0.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2336   -0.3226   -0.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5426   -1.1330   -1.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9249   -1.0923   -1.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6989   -0.3329   -0.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4763   -1.0789   -1.2230 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7508   -0.7746   -0.9684 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8087    0.1469   -0.0240 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5553    0.4094    0.3031 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0200    0.7556    0.5464 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2830    1.2126    1.4407 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7882    0.4651    0.7413 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5929   -0.9233   -0.7400 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2675    1.2250    1.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2047    1.1463    1.1678 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0398   -1.7920   -1.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5525   -1.7297   -1.6621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8964    0.1621    0.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0357    1.7991    0.1924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8542    0.7939    1.6501 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