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
   -4.6749    1.1397    0.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0569    0.0025   -0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6072   -0.1125    0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8038    0.9700    0.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4161    0.8128    0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2116   -0.3971    0.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6162   -1.4859   -0.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9860   -1.3459   -0.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6655   -0.5200    0.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3409   -1.6724   -0.0725 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6431   -1.4423    0.0033 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8016   -0.1491    0.2063 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5920    0.4302    0.2573 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0915    0.4861    0.3439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7686    1.1736    0.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1941    2.0843    0.2983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6388   -0.8918   -0.1709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2127    1.9629    0.3420 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1811    1.6949    0.3757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1588   -2.4588   -0.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6478   -2.2035   -0.3096 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483    1.3514    1.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7851   -0.2288    0.8315 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5215    0.7997   -0.6240 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