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
-2.8809 -2.0103 0.0648 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7841 -0.2424 0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4771 0.2511 -0.4398 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3738 -0.2338 0.2947 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9027 0.1728 -0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9932 0.9389 -1.1393 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1091 -0.2580 0.5373 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2831 0.1402 0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0018 0.1435 1.1126 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5861 0.1630 -0.5693 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4526 1.3361 -0.5181 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3917 -0.1460 -1.4864 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0302 -0.9050 1.3858 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4052 0.8016 -0.7535 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2247 -0.1517 0.5760 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