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
    4.8728   -0.3996    0.6557 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9398    0.5059    0.6962 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5248    0.2066    0.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6241    1.2783    0.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2942    1.0302    0.4262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1813   -0.2431    0.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6630   -1.3070    0.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0314   -1.0569    0.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6312   -0.4416    0.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2741   -1.6014   -0.1901 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5663   -1.3372   -0.2747 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7895   -0.0513   -0.1133 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5980    0.4930    0.0766 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0915    0.5979   -0.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6606   -1.4408    0.4879 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9022   -0.1128    0.7937 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2505    1.5502    0.8739 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9904    2.2807    0.7640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4427    1.8397    0.4715 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429   -2.3240   -0.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7285   -1.8699    0.2445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8377   -0.0902   -0.5477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0139    1.5481   -0.7425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3990    0.9451    0.8786 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