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
   -4.8276   -0.3069   -0.5561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9509    0.1684    0.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5151    0.0905    0.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9860   -0.5038   -0.9891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6102   -0.5820   -1.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2185   -0.0463   -0.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3407    0.5466    0.9176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7023    0.6274    1.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6609   -0.1213   -0.3679 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3712   -0.6547   -1.3732 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6658   -0.4849   -1.0896 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7673    0.1431    0.0716 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5434    0.3672    0.5160 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0189    0.5143    0.7293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8830   -0.2129   -0.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5237   -0.7941   -1.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3637    0.6508    1.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5720   -0.9427   -1.7884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1418   -1.0352   -2.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3182    0.9703    1.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1368    1.1037    1.9930 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0920   -0.0272    1.6975 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0335    1.6102    0.9263 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8643    0.2352    0.0923 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