Monomers
Bis(2-chloroethyl) vinylphosphonate
Identifiers
IUPAC name
1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane
InchI
InChI=1S/C6H11Cl2O3P/c1-2-12(9,10-5-3-7)11-6-4-8/h2H,1,3-6H2
InchI Key
LHHMNJZNWUJFOC-UHFFFAOYSA-N
SMILES
ClCCOP(=O)(OCCCl)C=C
Canonical SMILES
C=CP(=O)(OCCCl)OCCCl
Isomeric SMILES
C=CP(=O)(OCCCl)OCCCl
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H11Cl2O3P
Heavy Atom Count
12
Molecular Weight
233.031
Exact Molecular Weight
231.9823
Valence Electrons
72
Radical Electrons
0
tPSA
35.53
MolLogP
2.8338
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
23 22 0 0 0 0 0 0 0 0999 V2000
4.0186 -1.8935 0.6534 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.9891 -1.2060 -0.5748 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3407 0.1380 -0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4709 -0.1281 0.8816 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0538 0.3972 0.5455 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.3069 -0.3665 -0.9440 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2642 -0.2652 1.4904 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8299 -1.3632 0.9266 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9998 -0.9330 0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6929 -2.2887 -0.7668 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-0.4950 2.0696 0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0122 2.9990 -0.5058 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0615 -1.9420 -0.6516 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3841 -1.1859 -1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9542 0.6302 -1.0696 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1682 0.7399 0.2881 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1971 -2.1065 0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3586 -1.8641 1.8237 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7090 -0.3151 0.5765 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5798 -0.2070 -0.7622 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4142 2.4725 0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8893 2.6628 -1.0896 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3876 3.9556 -0.5794 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
5 11 1 0
11 12 2 3
2 13 1 0
2 14 1 0
3 15 1 0
3 16 1 0
8 17 1 0
8 18 1 0
9 19 1 0
9 20 1 0
11 21 1 0
12 22 1 0
12 23 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers