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
    4.6419    1.1555    0.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0134    0.0631    0.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5766   -0.0388    0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7374    1.0084    0.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3668    0.7907    0.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1713   -0.4085   -0.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6844   -1.4432   -0.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0358   -1.2623   -0.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6332   -0.5908   -0.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2665   -1.7144   -0.6808 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5787   -1.4466   -0.6565 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7860   -0.1975   -0.2835 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5896    0.3215   -0.0722 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0918    0.4551   -0.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0815    2.0339    0.7444 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7232    1.1458    0.5449 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6424   -0.8142   -0.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1151    1.9826    0.6425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2827    1.6274    0.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2857   -2.4095   -0.7812 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6695   -2.1142   -0.5863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8515   -0.3135    0.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2538    1.0324   -1.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0685    1.1371    0.7273 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