Monomers
2-(Allyloxy)-4,6-dichloro-1,3,5-triazine
Identifiers
IUPAC name
2,4-dichloro-6-prop-2-enoxy-1,3,5-triazine
InchI
InChI=1S/C6H5Cl2N3O/c1-2-3-12-6-10-4(7)9-5(8)11-6/h2H,1,3H2
InchI Key
OSVAWQJNBLOEMP-UHFFFAOYSA-N
SMILES
C=CCOc1nc(Cl)nc(n1)Cl
Canonical SMILES
C=CCOC1=NC(=NC(=N1)Cl)Cl
Isomeric SMILES
C=CCOC1=NC(=NC(=N1)Cl)Cl
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H5Cl2N3O
Heavy Atom Count
12
Molecular Weight
206.032
Exact Molecular Weight
204.981
Valence Electrons
64
Radical Electrons
0
tPSA
47.9
MolLogP
1.7432
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
17 17 0 0 0 0 0 0 0 0999 V2000
-3.1005 -0.4262 -0.2943 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7871 -0.3955 -0.4619 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2027 0.7128 -1.2498 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3115 1.4245 -0.4382 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7894 0.8489 0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6309 1.5771 0.9052 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7148 0.9910 1.4475 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7605 1.9809 2.4498 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.9759 -0.3218 1.2172 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1551 -1.0565 0.4435 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0821 -0.4411 -0.0826 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4757 -2.7690 0.1297 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.7585 0.3231 -0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5441 -1.2394 0.2854 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1550 -1.1387 -0.0505 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6989 0.3440 -2.1744 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0261 1.4280 -1.5377 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 1 0
7 9 2 0
9 10 1 0
10 11 2 0
10 12 1 0
11 5 1 0
1 13 1 0
1 14 1 0
2 15 1 0
3 16 1 0
3 17 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers