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
   -4.7577    0.2067   -0.3172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9679   -0.2563    0.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5303   -0.2255    0.4762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8701    0.2887   -0.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4711    0.2780   -0.6539 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2519   -0.2449    0.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4057   -0.7514    1.4676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7740   -0.7472    1.5193 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7206   -0.2276    0.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5928   -0.6891    1.2062 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8369   -0.4907    0.7417 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7547    0.0865   -0.4457 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4697    0.2456   -0.7173 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8934    0.4725   -1.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3944    0.6378   -1.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8463    0.1649   -0.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4165   -0.6884    1.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4266    0.7061   -1.4507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0019    0.6901   -1.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1812   -1.1653    2.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2712   -1.1673    2.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7703    1.5334   -1.5491 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8176    0.3549   -0.7272 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8445   -0.1345   -2.2208 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