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
   -4.8694   -0.0518   -0.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9487   -0.0653    0.5979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458   -0.0404    0.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6078   -0.0566    1.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2580   -0.0333    1.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2325    0.0063   -0.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6940    0.0217   -1.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0527   -0.0008   -0.9939 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6671    0.0309   -0.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2677    0.0698   -1.7055 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5702    0.0796   -1.4826 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7983    0.0484   -0.1901 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520    0.0188    0.4151 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0818    0.0452    0.5211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6906   -0.0218   -1.3905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9389   -0.0716   -0.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2547   -0.0962    1.6323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9624   -0.0876    2.3548 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4805   -0.0455    1.8676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3634    0.0528   -2.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7519    0.0125   -1.8186 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1662    1.0113    1.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1068   -0.7877    1.2474 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9149   -0.0389   -0.1847 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