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
-3.7176 2.3681 -1.8149 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4665 1.0957 -1.7636 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2698 0.5561 -1.1665 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0418 -0.8203 -1.1336 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8965 -1.2959 -0.5595 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0609 -0.4884 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1837 0.8654 -0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3326 1.3846 -0.6195 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2841 -0.9923 0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6472 -2.2986 0.7184 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8091 -2.3225 1.3299 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2239 -1.1084 1.6260 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2829 -0.2954 1.1813 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4732 -0.8295 2.3029 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0328 3.0974 -1.4072 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6585 2.7210 -2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1823 0.4035 -2.1853 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8031 -1.4392 -1.5744 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7150 -2.3710 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5327 1.5527 0.3752 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4161 2.4563 -0.5955 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8983 0.1566 1.9958 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3187 -0.7382 3.4152 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1855 -1.6579 2.1453 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