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
    4.6281    0.0325    1.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0218   -0.2946    0.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5766   -0.2375   -0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0124   -0.6050   -1.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6571   -0.5559   -1.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2216   -0.1436   -0.4265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3213    0.2231    0.7819 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7034    0.1681    0.9623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6612   -0.1071   -0.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3209   -0.4329   -1.7923 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6291   -0.2421   -1.5566 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7807    0.1877   -0.3351 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5754    0.2735    0.2140 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9953    0.5375    0.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0808    0.3694    2.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7010   -0.0232    1.3891 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322   -0.6324   -0.6598 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6710   -0.9309   -2.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2295   -0.8474   -2.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3113    0.5529    1.5922 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1291    0.4630    1.9314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3705   -0.3679    0.9002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7324    0.8474   -0.3834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7657    1.3448    1.1137 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