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
-4.8984 0.0328 0.3601 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9853 0.5619 -0.4126 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5628 0.2913 -0.2214 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6475 0.8893 -1.0822 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2905 0.6848 -0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2323 -0.1294 0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6698 -0.7231 0.8668 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0488 -0.5215 0.7588 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6791 -0.3496 0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2959 -1.1182 1.0499 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6101 -1.0834 0.8638 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8188 -0.2893 -0.1706 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6475 0.1710 -0.6306 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1159 0.0262 -0.7127 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6732 -0.6224 1.1706 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9348 0.2604 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3252 1.2183 -1.2122 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0413 1.5290 -1.8547 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4177 1.1628 -1.6536 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2709 -1.3615 1.6372 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7267 -1.0088 1.4528 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9601 0.1846 -1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5022 1.0065 -0.3196 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7954 -0.8118 -0.5142 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