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
4.8728 -0.3996 0.6557 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9398 0.5059 0.6962 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5248 0.2066 0.5201 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6241 1.2783 0.5871 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2942 1.0302 0.4262 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1813 -0.2431 0.2005 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6630 -1.3070 0.1293 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0314 -1.0569 0.2941 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6312 -0.4416 0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2741 -1.6014 -0.1901 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5663 -1.3372 -0.2747 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7895 -0.0513 -0.1133 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5980 0.4930 0.0766 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.0915 0.5979 -0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6606 -1.4408 0.4879 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9022 -0.1128 0.7937 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2505 1.5502 0.8739 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9904 2.2807 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4427 1.8397 0.4715 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3429 -2.3240 -0.0454 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7285 -1.8699 0.2445 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8377 -0.0902 -0.5477 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0139 1.5481 -0.7425 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3990 0.9451 0.8786 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