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
   -4.9145    0.2315   -0.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9493   -0.4242    0.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5457   -0.1965    0.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5563   -0.9305    0.8602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2136   -0.7517    0.6267 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2154    0.1756   -0.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7200    0.9078   -0.9675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0773    0.7204   -0.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6655    0.3613   -0.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2379    1.2077   -1.3904 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5434    1.0318   -1.2768 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7961    0.0945   -0.3750 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6252   -0.3135    0.0742 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1263   -0.3834    0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7241    0.9853   -0.8656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9616    0.0300    0.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2138   -1.1680    1.2088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9147   -1.6553    1.5821 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5088   -1.3483    1.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3825    1.6339   -1.6898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8084    1.3238   -1.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5516   -0.9954   -0.7849 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9744   -1.0451    0.9079 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7371    0.5083    0.2729 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