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
   -4.9006    0.1452   -0.3841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8646    0.8894   -0.7068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4955    0.4895   -0.4442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4671    1.3556   -0.8280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1607    1.0136   -0.5971 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -0.1745    0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8410   -1.0265    0.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1599   -0.7066    0.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5807   -0.5053    0.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9905   -1.6392    0.8240 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3260   -1.6089    0.8707 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7670   -0.4830    0.3302 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6903    0.1826   -0.0513 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1662   -0.1187    0.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8966    0.5159   -0.6149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8397   -0.8017    0.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0353    1.8452   -1.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7318    2.3090   -1.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6151    1.6864   -0.8964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6176   -1.9624    0.8641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9615   -1.3719    0.4614 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6863   -0.7315   -0.5437 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2797    0.9433   -0.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7035   -0.2456    1.1725 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