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
-2.1321 -1.0215 2.0760 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3953 0.1440 0.7632 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4338 -0.0733 -0.3649 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0892 0.0570 0.0139 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8630 -0.1371 -1.0081 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4790 -0.4093 -2.1750 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2731 -0.0319 -0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7058 0.2512 0.4555 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4202 -0.0563 0.3589 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4152 1.1889 1.1281 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6274 0.6585 -1.1666 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5746 -1.1268 -0.7141 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9834 -0.1820 -1.5393 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7635 0.3288 0.6412 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0199 0.4098 1.2761 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