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
   -4.8719   -0.0242    0.7491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7600   -0.3907    1.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4254   -0.2110    0.7675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3077   -0.6495    1.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0703   -0.4776    0.9603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    0.1133   -0.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9150    0.5490   -0.9889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1949    0.3784   -0.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5150    0.2540   -0.7497 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8677    0.8071   -1.9184 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2017    0.7503   -1.9996 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6946    0.1790   -0.9181 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6588   -0.1176   -0.1672 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0819   -0.0805   -0.5976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8384   -0.1758    1.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8555    0.4500   -0.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8367   -0.8657    2.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4518   -1.1240    2.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7859   -0.8324    1.5512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7968    1.0240   -1.9654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0492    0.7281   -1.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3436    0.1800    0.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3142   -1.1714   -0.7295 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7599    0.5101   -1.2463 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