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
-4.8719 -0.0242 0.7491 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7600 -0.3907 1.3264 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4254 -0.2110 0.7675 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3077 -0.6495 1.4891 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0703 -0.4776 0.9603 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1500 0.1133 -0.2653 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9150 0.5490 -0.9889 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1949 0.3784 -0.4565 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5150 0.2540 -0.7497 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8677 0.8071 -1.9184 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2017 0.7503 -1.9996 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6946 0.1790 -0.9181 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6588 -0.1176 -0.1672 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0819 -0.0805 -0.5976 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8384 -0.1758 1.1972 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8555 0.4500 -0.2112 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8367 -0.8657 2.2971 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4518 -1.1240 2.4684 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7859 -0.8324 1.5512 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7968 1.0240 -1.9654 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0492 0.7281 -1.0373 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3436 0.1800 0.4447 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3142 -1.1714 -0.7295 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7599 0.5101 -1.2463 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