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
   -4.8395   -0.4338   -0.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9620    0.4746    0.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5469    0.1987    0.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6897    1.2346    0.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3457    1.0076    0.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2011   -0.2060    0.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6364   -1.2356   -0.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0048   -0.9993   -0.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6495   -0.4000    0.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2905   -1.5327   -0.2181 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6058   -1.3037   -0.0902 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8037   -0.0609    0.3149 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6095    0.4840    0.4392 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0738    0.5885    0.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5679   -1.4124   -0.4644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8907   -0.2021   -0.1331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3479    1.4582    0.4609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0582    2.2078    0.7955 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3316    1.7908    0.7617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2109   -2.1700   -0.5255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6443   -1.8262   -0.5169 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9661    1.3436    1.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3919    1.1347   -0.3172 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8216   -0.1403    0.9425 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