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
-2.9083 1.6456 -1.2212 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7761 0.0419 -0.4938 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4989 -0.1239 0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3485 0.0537 -0.5253 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8814 -0.0793 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9662 -0.3415 1.3320 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1120 0.0848 -0.6473 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2835 -0.0383 -0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8743 -0.7601 -1.2415 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6108 -0.0959 0.2275 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4309 0.6482 1.0852 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4755 -1.1511 0.7015 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1045 0.3104 -1.7005 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2274 0.0735 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3483 -0.2678 1.0106 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