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
   -4.8086   -0.5729    0.9118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7555   -0.0069    1.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4399   -0.1636    0.8582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1815   -0.9019   -0.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9044   -1.0352   -0.8167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1673   -0.4276   -0.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0881    0.3136    0.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3251    0.4541    1.4457 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5296   -0.5354   -0.7582 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8859   -1.2280   -1.8540 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2095   -1.0969   -2.0252 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6910   -0.3285   -1.0481 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6432    0.0077   -0.2782 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0682    0.0754   -0.8405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8274   -1.1885    0.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8039   -0.4419    1.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8676    0.5865    2.3289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0224   -1.4070   -0.7766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7714   -1.6267   -1.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8071    0.7889    1.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4623    1.0366    2.3231 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7642   -0.7107   -1.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2880    0.2310    0.2423 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2040    1.0252   -1.4012 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