Monomers
2-Chloroethyl acrylate
Identifiers
IUPAC name
2-chloroethyl prop-2-enoate
InchI
InChI=1S/C5H7ClO2/c1-2-5(7)8-4-3-6/h2H,1,3-4H2
InchI Key
WHBAYNMEIXUTJV-UHFFFAOYSA-N
SMILES
ClCCOC(=O)C=C
Canonical SMILES
C=CC(=O)OCCCl
Isomeric SMILES
C=CC(=O)OCCCl
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
0.9544
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
-2.1300 1.4298 1.5119 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.1894 0.7217 -0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7252 -0.7157 -0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3909 -0.8258 0.3694 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6876 -0.2251 -0.2299 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5176 0.4685 -1.2500 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0119 -0.3952 0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0778 0.1553 -0.2139 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6013 1.3474 -0.8013 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2431 0.6963 -0.5102 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8108 -1.0893 -1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3512 -1.3354 0.5614 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1240 -1.0076 1.2094 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0470 0.0142 0.2102 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9761 0.7610 -1.0939 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 2 3
2 9 1 0
2 10 1 0
3 11 1 0
3 12 1 0
7 13 1 0
8 14 1 0
8 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers