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
-4.8937 0.0942 -0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9376 -0.7025 0.3043 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5424 -0.3728 0.1957 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1164 0.8292 -0.3311 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7632 1.1256 -0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2048 0.2394 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2238 -0.9531 0.5209 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5588 -1.2609 0.6214 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6268 0.5286 -0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2437 1.6237 -0.5651 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5500 1.4531 -0.4520 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8006 0.2728 0.0842 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6202 -0.2840 0.3008 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1211 -0.3004 0.3782 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9505 -0.2001 0.0226 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7613 1.0659 -0.5114 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2097 -1.6725 0.7315 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8097 1.5836 -0.6887 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4186 2.0602 -0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 -1.7021 0.8768 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8830 -2.2201 1.0422 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1692 -0.6608 1.4353 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3814 -1.0778 -0.3473 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8525 0.5310 0.3159 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