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
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
4.7792 -0.5527 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0059 0.4955 0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5770 0.3772 -0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8424 1.5706 -0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4747 1.4928 -0.1456 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2352 0.3205 -0.2647 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4981 -0.8404 -0.2838 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8831 -0.8049 -0.1863 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7048 0.3141 -0.3663 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4649 1.4203 -0.3524 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7229 1.0657 -0.4602 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7797 -0.2463 -0.5426 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5429 -0.6986 -0.4845 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.0061 -1.0355 -0.6742 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3743 -1.5368 -0.0588 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8522 -0.4584 0.1075 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4711 1.4654 0.1279 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3714 2.5170 0.0463 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0768 2.4288 -0.1275 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0248 -1.7901 -0.3767 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4348 -1.7507 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8812 -0.4779 -0.3049 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9240 -1.9954 -0.0952 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2008 -1.2803 -1.7442 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