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
-4.0054 0.9599 0.4656 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7577 -0.2385 -0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4297 0.4075 0.1728 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3363 -0.3879 -0.1673 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9478 0.1169 -0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0625 1.3047 0.4403 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1237 -0.6736 -0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3194 -0.1746 -0.1993 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9381 -0.5786 -1.0644 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9007 -1.1029 0.6736 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3413 0.6408 1.2654 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3891 1.3288 -0.4368 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0178 -1.6739 -0.7355 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4387 0.8208 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1884 -0.7493 -0.4475 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