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
    4.8801   -0.2860    0.6274 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917    0.5031    0.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5634    0.2357    0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0105   -0.8759    0.6707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6335   -1.0869    0.6495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2233   -0.1992    0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3583    0.9102   -0.5401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7096    1.1422   -0.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6579   -0.4347    0.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2460   -1.5031    0.5908 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5453   -1.4324    0.4140 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8217   -0.3417   -0.2487 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6629    0.2858   -0.4924 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1355    0.1044   -0.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9326   -0.0087    0.5761 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5654   -1.1891    1.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3691    1.4123   -0.4132 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6271   -1.6210    1.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2539   -1.9820    1.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3264    1.6085   -1.0175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1552    2.0289   -1.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7752    0.2561    0.2274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0771    1.0456   -1.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5792   -0.7059   -1.2742 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