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
-2.5636 1.3939 0.7844 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.0796 -0.3047 0.8863 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5982 -0.7436 -0.4598 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5080 -0.0316 -0.9493 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7004 0.0079 -0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7557 -0.6361 0.7984 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8627 0.7275 -0.7357 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9717 0.7126 -0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0057 -0.8901 1.1115 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3909 -0.4722 1.7087 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3618 -1.8424 -0.4912 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4408 -0.6143 -1.1732 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8317 1.2900 -1.6653 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8290 1.2561 -0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9975 0.1470 0.8948 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