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
    4.7031    0.9015    0.5034 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9679    0.4689   -0.4896 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5340    0.2493   -0.4613 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8720   -0.2117   -1.5803 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4892   -0.4215   -1.5467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2344   -0.1746   -0.4066 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4315    0.2832    0.7006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8061    0.5013    0.6975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6662   -0.3832   -0.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4693   -0.8318   -1.3543 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7138   -0.8888   -0.9092 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7534   -0.4944    0.3524 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5101   -0.1907    0.6847 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9394   -0.4084    1.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7632    1.0403    0.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2408    1.1262    1.4428 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4827    0.2497   -1.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4598   -0.3986   -2.4635 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0210   -0.7836   -2.4519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1026    0.4945    1.6338 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2663    0.8644    1.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5966   -0.1887    2.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4938    0.5014    0.8461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5578   -1.3050    1.1155 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