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
4.7596 1.1514 -0.4899 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0432 0.1877 0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5945 0.2075 -0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8653 -0.8416 0.5523 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4900 -0.8850 0.5279 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2453 0.1123 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4664 1.1437 -0.6395 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8609 1.1998 -0.6217 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7134 0.0823 -0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4956 1.0163 -0.6725 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7696 0.6334 -0.4981 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8052 -0.5137 0.1602 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5508 -0.8394 0.3925 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.0161 -1.2446 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3707 2.0149 -1.0004 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8627 1.1421 -0.4449 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5671 -0.6239 0.5241 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4559 -1.6314 1.0276 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0526 -1.7084 0.9819 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1015 1.9313 -1.1128 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3821 2.0392 -1.0857 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9663 -2.3023 0.2274 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1125 -1.2516 1.6526 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8896 -0.7255 0.1477 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