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
4.6419 1.1555 0.5004 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0134 0.0631 0.1388 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5766 -0.0388 0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7374 1.0084 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3668 0.7907 0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1713 -0.4085 -0.1893 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6844 -1.4432 -0.4682 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0358 -1.2623 -0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6332 -0.5908 -0.3093 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2665 -1.7144 -0.6808 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5787 -1.4466 -0.6565 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7860 -0.1975 -0.2835 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5896 0.3215 -0.0722 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.0918 0.4551 -0.1412 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0815 2.0339 0.7444 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7232 1.1458 0.5449 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6424 -0.8142 -0.1019 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1151 1.9826 0.6425 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2827 1.6274 0.4286 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2857 -2.4095 -0.7812 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6695 -2.1142 -0.5863 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8515 -0.3135 0.0569 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2538 1.0324 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0685 1.1371 0.7273 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