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
-4.7306 -0.7229 0.3611 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0163 -0.0508 -0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5608 0.0465 -0.4457 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8204 -0.5505 0.5504 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4274 -0.4411 0.6013 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2575 0.2762 -0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4940 0.8700 -1.3481 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8676 0.7656 -1.4033 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7126 0.3941 -0.3073 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5245 1.0442 -1.1449 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7705 0.8700 -0.6971 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7720 0.1329 0.3933 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4993 -0.1587 0.6304 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9397 -0.2698 1.1672 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3146 -1.2519 1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8101 -0.7746 0.2728 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5343 0.4414 -1.3309 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2968 -1.1158 1.3138 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1405 -0.9104 1.3821 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0193 1.4357 -2.1064 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4619 1.2304 -2.1816 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1850 0.4403 1.9695 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7890 -0.4080 0.4438 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7247 -1.2928 1.5515 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