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
   -4.6910    0.1141    0.6663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0317    0.4732   -0.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5865    0.3448   -0.4955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9197    0.7415   -1.6567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5597    0.6280   -1.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2158    0.1238   -0.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4107   -0.2759    0.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7869   -0.1566    0.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6595    0.0172   -0.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571    0.3814   -1.9863 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6341    0.1283   -1.7277 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7762   -0.3824   -0.5164 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5574   -0.4475   -0.0117 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0093   -0.7899    0.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7901    0.2122    0.7375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1811   -0.2937    1.5211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5880    0.8773   -1.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5474    1.1399   -2.4549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0812    0.9556   -2.7021 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1571   -0.6874    1.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2152   -0.4878    1.4393 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7780   -1.0780    1.1799 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5099   -1.5960   -0.4348 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7346    0.0580    0.2065 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