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
    4.8706    0.3907   -0.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9409   -0.5235   -0.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5436   -0.2331   -0.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6312   -1.2698   -0.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3102   -1.0263   -0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2018    0.2149    0.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6915    1.2463    0.3961 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0403    0.9988    0.2129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6385    0.3850    0.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2002    1.5668    0.7438 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5243    1.3610    0.8274 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8052    0.1109    0.5866 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6352   -0.4845    0.3461 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0893   -0.5556    0.5676 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6100    1.3993    0.0508 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9116    0.1657   -0.3391 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2513   -1.5374   -0.5438 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9817   -2.2729   -0.4825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4273   -1.8405   -0.1574 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3287    2.2532    0.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7109    1.8583    0.3324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8182    0.1494    0.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4149   -0.8771    1.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0674   -1.4795   -0.0534 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