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
-2.3225 -0.9742 0.4751 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4902 0.2081 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1196 -0.0939 -0.0325 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7729 0.8992 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2800 2.0681 -0.5330 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2004 0.6790 -0.5356 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7125 -0.5122 -0.3689 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2319 2.0112 -0.9609 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.2439 -1.0154 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7971 -1.9314 0.3447 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6620 -0.9520 1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5614 0.9620 0.9304 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9092 0.7039 -0.7912 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7721 -0.6611 -0.4964 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 -1.3913 -0.1038 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