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
4.7031 0.9015 0.5034 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9679 0.4689 -0.4896 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5340 0.2493 -0.4613 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8720 -0.2117 -1.5803 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4892 -0.4215 -1.5467 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2344 -0.1746 -0.4066 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4315 0.2832 0.7006 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8061 0.5013 0.6975 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6662 -0.3832 -0.3446 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4693 -0.8318 -1.3543 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7138 -0.8888 -0.9092 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7534 -0.4944 0.3524 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5101 -0.1907 0.6847 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.9394 -0.4084 1.2182 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7632 1.0403 0.4084 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2408 1.1262 1.4428 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4827 0.2497 -1.4377 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4598 -0.3986 -2.4635 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0210 -0.7836 -2.4519 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1026 0.4945 1.6338 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2663 0.8644 1.6097 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5966 -0.1887 2.2327 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4938 0.5014 0.8461 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5578 -1.3050 1.1155 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