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
-4.8276 -0.3069 -0.5561 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9509 0.1684 0.3036 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5151 0.0905 0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9860 -0.5038 -0.9891 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6102 -0.5820 -1.1671 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2185 -0.0463 -0.1943 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3407 0.5466 0.9176 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7023 0.6274 1.1001 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6609 -0.1213 -0.3679 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3712 -0.6547 -1.3732 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6658 -0.4849 -1.0896 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7673 0.1431 0.0716 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5434 0.3672 0.5160 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0189 0.5143 0.7293 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8830 -0.2129 -0.3565 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5237 -0.7941 -1.4661 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3637 0.6508 1.2074 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5720 -0.9427 -1.7884 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1418 -1.0352 -2.0181 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3182 0.9703 1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1368 1.1037 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0920 -0.0272 1.6975 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0335 1.6102 0.9263 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8643 0.2352 0.0923 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