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
-3.9147 0.0039 -0.7641 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2095 -0.4346 -0.5418 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6297 0.3340 0.6237 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2899 0.0446 0.8637 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7470 0.2240 -0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5076 0.6884 -1.1356 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1151 -0.1402 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1478 0.0107 -0.3808 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6570 -0.2583 -1.4799 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1826 -1.5315 -0.3323 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8362 1.4155 0.4622 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2250 0.0423 1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2808 -0.5407 1.4032 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0224 0.4075 -1.3738 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1239 -0.2655 -0.0342 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