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
   -4.7728    0.6825   -0.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9391   -0.2348   -0.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5108   -0.0111   -0.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6764   -1.0569    0.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3410   -0.8587    0.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2402    0.3151   -0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5609    1.3512   -0.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9270    1.1734   -0.5032 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7095    0.4509   -0.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4568    1.4876   -0.4388 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1177   -0.2490 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7627   -0.1217    0.2117 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5238   -0.5344    0.3134 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9069   -0.9459    0.5645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8371    0.4522   -0.3972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4727    1.6374   -0.7802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2931   -1.2216    0.2866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1187   -1.9953    0.6628 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2823   -1.7020    0.6532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1146    2.2912   -0.8426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5663    1.9855   -0.8304 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9145   -1.8522   -0.1012 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8551   -0.4093    0.4508 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7467   -1.2442    1.6369 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