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
-2.0340 -2.4534 -0.1141 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.4055 -0.7413 0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3965 0.1426 -0.6372 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1056 -0.0233 -0.1301 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9154 0.7462 -0.6909 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6416 1.5522 -1.6218 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2968 0.6352 -0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6077 -0.2047 0.7572 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4945 -0.4789 1.1138 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3839 -0.5613 -0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7073 1.2013 -0.4111 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4670 0.0521 -1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0659 1.2409 -0.6696 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6308 -0.2794 1.0984 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8362 -0.8282 1.2259 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