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
   -4.8852    0.1076   -0.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9938   -0.5008    0.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5781   -0.2394    0.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0381    0.6249   -0.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6747    0.8254   -0.9111 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2063    0.1488   -0.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2970   -0.7244    0.8286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6544   -0.9049    0.9290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6628    0.3636   -0.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2789    1.1829   -1.0907 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5840    1.0578   -0.8574 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8059    0.1913    0.1162 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6172   -0.2356    0.5012 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1163   -0.2043    0.6487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5967    0.8090   -1.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9417   -0.1097   -0.2620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3345   -1.2098    1.0701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6759    1.1816   -1.4506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2994    1.5318   -1.6641 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3979   -1.2662    1.4779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0704   -1.6052    1.6724 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1715   -1.3149    0.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2983    0.2174    1.6489 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9010    0.0732   -0.0874 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