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
   -4.9269    0.1123    0.3092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0015   -0.2798   -0.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5649   -0.1385   -0.2542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6469   -0.5775   -1.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2860   -0.4727   -0.9916 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2246    0.0812    0.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6823    0.5213    1.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0656    0.4163    0.9022 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6705    0.1878    0.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750    0.7041    1.4376 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5779    0.6412    1.2852 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7913    0.0819    0.1082 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6410   -0.2034   -0.4724 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1502   -0.1468   -0.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7356    0.5694    1.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9622   -0.0226    0.0424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2955   -0.7244   -1.4562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0255   -1.0154   -2.1032 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310   -0.8175   -1.7265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3104    0.9603    2.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7608    0.7654    1.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8034   -0.4788    0.4589 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5989    0.7536   -0.8141 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1001   -0.9174   -1.1689 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