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
-1.6291 2.1183 0.2941 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3332 0.6408 -0.3066 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6594 -0.6325 0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3649 -0.8138 -0.3613 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7516 -0.1236 -0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6870 0.8191 0.8184 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0424 -0.5045 -0.6022 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1575 0.1510 -0.2743 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4597 0.6537 -1.4209 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4059 0.5356 0.0577 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2960 -1.4559 -0.4019 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7682 -0.8555 1.1697 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0649 -1.3186 -1.3054 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1465 0.9553 0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0665 -0.1693 -0.7403 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