Monomers
Ethyl 2-chloroacrylate
Identifiers
IUPAC name
ethyl 2-chloroprop-2-enoate
InchI
InChI=1S/C5H7ClO2/c1-3-8-5(7)4(2)6/h2-3H2,1H3
InchI Key
CVUNPKSKGHPMSY-UHFFFAOYSA-N
SMILES
CCOC(=O)C(=C)Cl
Canonical SMILES
CCOC(=O)C(=C)Cl
Isomeric SMILES
CCOC(=O)C(=C)Cl
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H7ClO2
Heavy Atom Count
8
Molecular Weight
134.562
Exact Molecular Weight
134.0135
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.302
H Bond Acceptors
2
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
15 14 0 0 0 0 0 0 0 0999 V2000
-2.2811 -0.1855 -0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5396 -0.5369 1.2208 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2931 0.0856 1.3358 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7545 -0.0595 0.4462 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5578 -0.8115 -0.5364 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9982 0.6522 0.6945 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9869 0.5068 -0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2230 1.6901 2.0811 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.6795 0.8314 0.0074 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1783 -0.8670 -0.0748 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7084 -0.4136 -0.9556 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5128 -1.6340 1.3586 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1642 -0.1500 2.0747 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9173 1.0147 -0.0077 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9195 -0.1227 -1.0426 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 2 0
4 6 1 0
6 7 2 3
6 8 1 0
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
7 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers