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
   -4.7306   -0.7229    0.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0163   -0.0508   -0.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5608    0.0465   -0.4457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8204   -0.5505    0.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4274   -0.4411    0.6013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2575    0.2762   -0.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4940    0.8700   -1.3481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8676    0.7656   -1.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7126    0.3941   -0.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5245    1.0442   -1.1449 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7705    0.8700   -0.6971 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7720    0.1329    0.3933 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4993   -0.1587    0.6304 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9397   -0.2698    1.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3146   -1.2519    1.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8101   -0.7746    0.2728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5343    0.4414   -1.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2968   -1.1158    1.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1405   -0.9104    1.3821 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0193    1.4357   -2.1064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4619    1.2304   -2.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1850    0.4403    1.9695 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890   -0.4080    0.4438 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7247   -1.2928    1.5515 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