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
    4.6811   -0.9938    0.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9886    0.0969    0.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5401    0.1767    0.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7897   -0.9292    0.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4052   -0.7794    0.1143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2183    0.4058    0.3957 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5613    1.4993    0.7056 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9523    1.3954    0.7306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6899    0.5042    0.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3949    1.6146    0.6255 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6795    1.3373    0.5065 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7422    0.0590    0.1758 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5392   -0.4703    0.0845 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0023   -0.6556   -0.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2693   -1.9453   -0.0416 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7622   -0.9609    0.2666 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5758    0.9957    0.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2676   -1.8660   -0.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1978   -1.6546   -0.1330 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0987    2.4514    0.9331 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5234    2.2793    0.9789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8571   -0.0685    0.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0172   -1.6198    0.5051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0769   -0.8719   -1.1392 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