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
    4.8729   -0.0308   -0.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9532    0.8803   -0.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5389    0.4877   -0.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1293   -0.8121   -0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7674   -1.1209   -0.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1954   -0.1548   -0.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2395    1.1465   -0.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5546    1.4541   -0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6231   -0.4865   -0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0866   -1.7430   -0.1821 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4257   -1.7148   -0.1003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8078   -0.4447    0.0265 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6963    0.3020    0.0219 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1877   -0.0176    0.1434 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7490   -1.0782   -0.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9201    0.3153   -0.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1742    1.9344   -0.2516 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8608   -1.5997   -0.4638 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4808   -2.1645   -0.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5037    1.9213    0.0247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8820    2.4808   -0.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4975    0.0648    1.2264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8747   -0.6650   -0.4108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2241    1.0453   -0.2378 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