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
-2.4577 0.2215 0.7028 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4567 0.0248 -0.4045 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1246 0.0197 0.0718 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9054 -0.1498 -0.8179 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6653 -0.2982 -2.0372 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2989 -0.1672 -0.4115 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6071 -0.0116 0.8892 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5522 -0.3889 -1.6110 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.6732 1.3081 0.8894 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4178 -0.2215 0.3615 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0876 -0.2339 1.6436 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6397 -0.9728 -0.8525 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6337 0.7764 -1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8272 0.1228 1.6082 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6351 -0.0296 1.1492 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