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
-2.5555 0.5794 -1.2220 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3229 0.0169 0.4326 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2329 -0.9670 0.6423 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0532 -0.6171 0.3432 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6606 -0.2828 -0.8346 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0515 -0.2898 -1.8662 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0900 0.0734 -0.9074 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8520 0.0858 0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2345 0.8970 1.1377 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3055 -0.4525 0.7457 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5598 -1.9415 0.1814 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2589 -1.2135 1.7532 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5435 0.3329 -1.8488 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4224 -0.1705 1.1235 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8999 0.3404 0.1533 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