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
   -4.9025    0.5638    0.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8820    0.4602    1.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4916    0.3680    0.5927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4560    0.2600    1.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1283    0.1706    1.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1713    0.1912   -0.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8226    0.2970   -1.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1581    0.3857   -0.7412 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5651    0.0986   -0.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0207    0.1051   -1.8859 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424    0.0031   -1.8344 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7553   -0.0683   -0.5888 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6677   -0.0096    0.1543 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1456   -0.1880   -0.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9083    0.6276    0.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7869    0.5895   -0.8644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0529    0.4382    2.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6982    0.2446    2.5552 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6429    0.0877    1.9065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6107    0.3152   -2.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8989    0.4676   -1.5383 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2295    0.4003    0.8076 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8407    0.2095   -0.8986 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4160   -1.2382    0.0789 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