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
   -4.9034   -0.2170    0.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8739   -0.9707   -0.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4850   -0.5211    0.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4319   -1.3522   -0.2898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1289   -0.9472   -0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2050    0.2946    0.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8302    1.1176    0.7176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1649    0.7105    0.5589 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6074    0.6905    0.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1179    1.8266    0.9901 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4358    1.7303    0.9427 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7510    0.5589    0.4613 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6538   -0.0860    0.2039 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0782   -0.0138    0.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9002   -0.6660    0.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8305    0.7841    0.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0596   -1.9802   -0.5310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6607   -2.3242   -0.6864 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138   -1.5993   -0.4039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6269    2.0992    1.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9662    1.3915    0.8426 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8701    0.5173    0.7474 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3288    0.0567   -0.8781 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1004   -1.1002    0.4552 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