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
   -3.7176    2.3681   -1.8149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4665    1.0957   -1.7636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2698    0.5561   -1.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0418   -0.8203   -1.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8965   -1.2959   -0.5595 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0609   -0.4884   -0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1837    0.8654   -0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3326    1.3846   -0.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2841   -0.9923    0.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6472   -2.2986    0.7184 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8091   -2.3225    1.3299 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2239   -1.1084    1.6260 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2829   -0.2954    1.1813 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4732   -0.8295    2.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0328    3.0974   -1.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6585    2.7210   -2.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1823    0.4035   -2.1853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8031   -1.4392   -1.5744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7150   -2.3710   -0.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5327    1.5527    0.3752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4161    2.4563   -0.5955 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8983    0.1566    1.9958 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3187   -0.7382    3.4152 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1855   -1.6579    2.1453 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