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
    4.9078    0.3066   -0.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0107    0.0874    0.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5687    0.0674    0.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6788   -0.1757    1.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3185   -0.1946    1.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2240    0.0198   -0.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6606    0.2597   -1.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0456    0.2844   -0.9364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6630   -0.0032   -0.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2719    0.1967   -1.5326 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5766    0.0988   -1.3429 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8353   -0.1606   -0.0618 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6567   -0.2185    0.5256 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1537   -0.3417    0.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9679    0.3049   -0.0887 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    0.4922   -1.3776 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3434   -0.0970    1.5964 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1039   -0.3432    2.3293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3398   -0.3867    1.9606 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2299    0.4288   -2.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6779    0.4776   -1.7833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8078    0.5228    0.3284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6305   -1.2534    0.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0043   -0.3728    1.6381 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