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
2.2793 -0.1570 0.4186 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6224 0.3712 -0.8263 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2761 0.7262 -0.5877 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6843 -0.1463 -0.1543 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3921 -1.3439 0.0561 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0493 0.3416 0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0119 -0.4617 0.4755 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4702 2.0167 -0.2336 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.8090 -1.0676 0.7921 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3683 -0.2595 0.2411 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1672 0.6116 1.2315 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7384 -0.3264 -1.6636 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1497 1.3253 -1.1095 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0244 -0.1281 0.6393 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7782 -1.5021 0.6631 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