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
   -4.9183    0.1401    0.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8657    0.1387    1.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4876    0.0977    0.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1876    0.0569   -0.7531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8431    0.0190   -1.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1599    0.0221   -0.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1316    0.0630    1.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4391    0.1002    1.4889 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5775   -0.0182   -0.6466 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0338   -0.0606   -1.9055 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3547   -0.0863   -1.8433 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7520   -0.0614   -0.5784 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6451   -0.0196    0.1420 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1353   -0.0788   -0.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8249    0.1102   -0.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9092    0.1732    0.7486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0634    0.1713    2.1381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9741    0.0539   -1.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6540   -0.0128   -2.2021 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6839    0.0647    1.8105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6576    0.1325    2.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5805    0.9420   -0.1444 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7759   -0.6924   -0.8408 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2575   -0.5709    0.8537 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