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
-3.8761 -0.2435 -0.5644 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.1310 -0.1213 -0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3234 -0.5160 0.2634 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0372 -0.4387 0.0241 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6487 0.7542 -0.3014 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0238 1.8364 -0.3992 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0874 0.7091 -0.5339 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7893 -0.4099 -0.4422 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8784 -0.7977 -1.7712 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8924 0.8918 -1.2359 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5488 -1.5944 0.5182 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6403 0.0480 1.1633 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5709 1.6398 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2858 -1.3306 -0.1856 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8473 -0.4274 -0.6161 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