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
    4.8118    0.3336    0.6311 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9945    0.3257   -0.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5321    0.2032   -0.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8910    0.0815    0.9326 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5151   -0.0319    0.9821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2657   -0.0297   -0.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031    0.0933   -1.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7622    0.2082   -1.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7202   -0.1475   -0.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5425   -0.2745    0.9298 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7828   -0.3480    0.4754 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7872   -0.2720   -0.8453 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5205   -0.1497   -1.1983 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9598   -0.3151   -1.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4576    0.2469    1.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8971    0.4262    0.5354 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4120    0.4165   -1.3616 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4908    0.0768    1.8447 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0434   -0.1265    1.9622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1899    0.0989   -2.2574 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2758    0.3051   -2.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6488   -0.8023   -2.6800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3659    0.6739   -1.9356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7029   -0.9924   -1.2659 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