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
-2.5928 -1.5809 -0.1365 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2988 0.1568 0.1155 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4231 0.7177 -0.9767 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1642 0.0836 -1.0325 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7418 0.0610 -0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4326 0.6460 1.0619 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0391 -0.5950 -0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9027 -0.6154 0.9099 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2889 0.6537 0.0607 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8990 0.3708 1.1273 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2540 1.7911 -0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9740 0.6530 -1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2660 -1.0940 -1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6774 -0.1307 1.8323 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8351 -1.1177 0.7881 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