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
   -4.9093    0.2551   -0.6164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9976   -0.3425    0.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5626   -0.1522   -0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6998   -0.8643    0.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3591   -0.6880    0.6468 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2314    0.1515   -0.2726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6269    0.8483   -1.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0007    0.6953   -0.9837 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6867    0.2951   -0.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3776    1.0741   -1.2168 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6922    0.9253   -0.9913 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8302    0.0557   -0.0060 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6067   -0.3341    0.3790 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1129   -0.3639    0.5231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9732    0.0764   -0.4622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6298    0.9469   -1.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3630   -1.0404    0.8667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1453   -1.5377    1.5248 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -1.2445    1.3031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2666    1.5265   -1.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6607    1.2519   -1.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4654   -1.2384   -0.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0095   -0.7212    1.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8696    0.4251    0.4122 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