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
   -4.8937    0.0942   -0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9376   -0.7025    0.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5424   -0.3728    0.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1164    0.8292   -0.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7632    1.1256   -0.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2048    0.2394   -0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2238   -0.9531    0.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5588   -1.2609    0.6214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6268    0.5286   -0.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2437    1.6237   -0.5651 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500    1.4531   -0.4520 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8006    0.2728    0.0842 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6202   -0.2840    0.3008 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1211   -0.3004    0.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9505   -0.2001    0.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7613    1.0659   -0.5114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2097   -1.6725    0.7315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8097    1.5836   -0.6887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4186    2.0602   -0.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4988   -1.7021    0.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8830   -2.2201    1.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1692   -0.6608    1.4353 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3814   -1.0778   -0.3473 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8525    0.5310    0.3159 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