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
-2.1913 1.7679 1.2061 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.4449 0.5248 -0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4282 -0.5977 0.1102 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1309 -0.0151 -0.0344 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9949 -0.8048 0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8277 -2.0300 0.2670 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3461 -0.3233 -0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5595 0.9445 -0.2929 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4495 0.0549 0.1149 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4249 0.9792 -1.0356 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5491 -1.3759 -0.6469 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5688 -1.0366 1.1218 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1670 -1.0031 0.0102 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7196 1.6131 -0.3739 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5727 1.3023 -0.3896 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