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
    4.8625    0.4213   -0.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8199    1.0833    0.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4705    0.5885    0.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1799   -0.6283   -0.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8652   -1.0344   -0.6284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1744   -0.2733   -0.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1643    0.9434    0.4524 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4440    1.3806    0.5612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5684   -0.6933   -0.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0854   -1.8088   -0.7590 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4168   -1.7503   -0.6080 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7468   -0.6327   -0.0032 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6091    0.0097    0.2240 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1058   -0.2393    0.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8849    0.8119   -0.1346 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8218   -0.5337   -0.7303 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9822    2.0367    0.6683 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9921   -1.2214   -0.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6390   -1.9776   -1.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6631    1.5311    0.8298 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6540    2.3459    1.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5171    0.4342   -0.4771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1501    0.3581    1.2587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7433   -1.1515    0.3956 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