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
   -4.8885   -0.2693    0.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8868   -0.9841    0.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5212   -0.5392    0.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4723   -1.3288    0.7655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1540   -0.9846    0.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1942    0.1764   -0.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8413    0.9480   -0.5263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1712    0.6160   -0.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5814    0.5822   -0.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0599    1.6752   -0.8512 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3827    1.6852   -0.8138 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7581    0.5982   -0.1749 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6633   -0.0919    0.1873 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1286    0.2237    0.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7838    0.6530   -0.4842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9007   -0.6160    0.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0736   -1.9303    1.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7360   -2.2361    1.2799 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6649   -1.6034    0.9933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5548    1.8726   -1.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9352    1.2658   -0.7777 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7572    0.6375   -0.7025 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4830    0.5418    1.0861 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2461   -0.8919    0.0371 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