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
2.2477 -1.8641 0.4990 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.2142 -0.3038 -0.3791 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6932 0.7270 0.5967 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4082 0.3666 1.0239 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7077 0.2042 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5787 0.3989 -0.9972 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0007 -0.1782 0.8188 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0640 -0.3294 0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2653 0.0192 -0.6189 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5905 -0.3934 -1.2633 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3667 0.7469 1.4799 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7087 1.7379 0.1071 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0873 -0.3385 1.8781 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0455 -0.1834 -1.0225 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0106 -0.6098 0.4736 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