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
-3.8857 -0.7436 -0.0098 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2412 -0.1987 0.3753 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5681 0.4092 -0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2603 0.8551 -0.5700 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7646 0.0335 -0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5185 -1.1855 0.0293 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0989 0.5147 0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0408 -0.3033 0.5438 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6929 -1.0843 0.7393 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2845 0.5432 1.2068 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4860 -0.3752 -1.6197 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1533 1.2293 -1.2615 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3142 1.5578 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8119 -1.3539 0.6819 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0232 0.1018 0.7326 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