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
   -4.8399   -0.3463    0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9495    0.4200    0.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5327    0.2333    0.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0835   -0.7537   -0.4672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7183   -0.9626   -0.7082 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1863   -0.1302   -0.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2541    0.8822    0.7481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5927    1.0571    0.9604 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6221   -0.2838   -0.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1732   -1.2215   -1.0712 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4881   -1.0773   -1.0261 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7580   -0.0612   -0.2249 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6327    0.4236    0.2247 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1258    0.3790    0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6016   -1.1596   -0.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9176   -0.2134    0.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2648    1.2166    1.2320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7131   -1.4659   -1.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3672   -1.7502   -1.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4618    1.5503    1.2461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0014    1.8412    1.6120 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1635    0.9205    1.0251 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4392    1.0146   -0.7945 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7859   -0.5125    0.0493 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