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
4.6281 0.0325 1.2873 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0218 -0.2946 0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5766 -0.2375 -0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0124 -0.6050 -1.2267 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6571 -0.5559 -1.4175 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2216 -0.1436 -0.4265 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3213 0.2231 0.7819 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7034 0.1681 0.9623 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6612 -0.1071 -0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3209 -0.4329 -1.7923 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.6291 -0.2421 -1.5566 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7807 0.1877 -0.3351 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5754 0.2735 0.2140 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.9953 0.5375 0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0808 0.3694 2.1394 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7010 -0.0232 1.3891 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6322 -0.6324 -0.6598 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6710 -0.9309 -2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2295 -0.8474 -2.3775 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3113 0.5529 1.5922 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1291 0.4630 1.9314 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3705 -0.3679 0.9002 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7324 0.8474 -0.3834 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7657 1.3448 1.1137 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