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
   -4.8826   -0.4125   -0.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9655    0.3147    0.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5461    0.1027    0.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6648    0.9571    0.8052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3123    0.8008    0.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2081   -0.1592   -0.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6776   -0.9780   -0.8765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0431   -0.8637   -0.7115 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6381   -0.3125   -0.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2965   -1.1879   -1.2031 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5944   -0.9773   -1.0905 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042    0.0367   -0.2456 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6149    0.4352    0.1503 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1160    0.5514    0.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9220   -0.2278    0.0196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6480   -1.2012   -0.8656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3022    1.1076    1.0649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0632    1.7309    1.4778 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3877    1.4538    1.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3086   -1.7376   -1.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7346   -1.5210   -1.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542    0.2245   -0.6362 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1334    1.6610    0.1447 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4231    0.2023    1.1256 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