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
    4.7606   -0.4681    0.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0177   -0.0478   -0.5646 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5745   -0.0195   -0.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7903    0.4381   -1.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4215    0.4781   -1.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2615    0.0716   -0.3387 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5067   -0.3771    0.7124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8945   -0.4280    0.6703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7184    0.1071   -0.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5107    0.5419   -1.2610 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7829    0.4678   -0.9139 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7855   -0.0187    0.3292 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5338   -0.2357    0.7283 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9309   -0.2869    1.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3770   -0.8151    1.3517 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8532   -0.4822    0.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4745    0.2894   -1.4829 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2965    0.7660   -2.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1568    0.8360   -2.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0454   -0.6988    1.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4150   -0.7978    1.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8465   -0.4653    0.5470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0971    0.5903    1.8255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7126   -1.1760    1.7855 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