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
   -4.7650   -0.6951    1.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9319    0.2883    0.9605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5330    0.0650    0.6499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9466   -1.1683    0.4968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6064   -1.2759    0.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2146   -0.1936    0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3513    1.0512    0.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6892    1.1790    0.4877 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6477   -0.3370   -0.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3432   -1.4721   -0.4479 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6162   -1.1537   -0.7201 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7261    0.1566   -0.7177 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5304    0.6611   -0.4459 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9623    0.8559   -0.9741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4567   -1.7092    1.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8060   -0.5160    1.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2837    1.3040    1.0579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5651   -2.0564    0.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1536   -2.2568    0.0826 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2228    1.9623    0.0851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1199    2.1766    0.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5985    0.9504   -0.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7496    1.8604   -1.3658 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5968    0.3232   -1.7234 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