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
    4.7226    0.6452    0.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0047   -0.3296   -0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5581   -0.3435   -0.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8226   -1.4195   -0.7023 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4469   -1.4332   -0.6525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2618   -0.4115   -0.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4270    0.6615    0.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8192    0.6791    0.3514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7150   -0.4186   -0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5259   -1.3917   -0.5092 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7754   -1.0055   -0.2638 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7723    0.1689    0.3256 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5082    0.5238    0.4517 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9022    0.9819    0.7803 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8096    0.6150    0.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3343    1.5417    0.6808 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5011   -1.1865   -0.6958 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3651   -2.2332   -1.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1184   -2.2877   -1.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1172    1.4807    0.8337 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3328    1.5392    0.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8570    0.4764    0.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7006    1.1727    1.8733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8899    1.9745    0.2842 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