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
    4.8537   -0.4708    0.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8356   -0.3451    1.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4806   -0.2271    0.5486 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4197   -0.0935    1.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1403    0.0191    1.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2016    0.0114   -0.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8191   -0.1181   -1.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1441   -0.2353   -0.7819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5797    0.1346   -0.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0982    0.1473   -1.9870 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4075    0.2809   -1.8638 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7422    0.3533   -0.6076 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6282    0.2648    0.0924 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0432    0.5018    0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7428   -0.4929   -0.7872 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8806   -0.5609    0.6427 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9954   -0.3269    2.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6509   -0.0838    2.5046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6929    0.1239    1.7203 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6303   -0.1327   -2.2949 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9437   -0.3372   -1.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8450    0.6779   -0.7137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9757    1.3469    0.7515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3224   -0.3915    0.6115 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