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
-3.8966 0.2914 0.5710 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2616 -0.1285 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2993 0.8200 0.6105 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0414 0.6030 0.2242 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7434 -0.5679 0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1426 -1.5048 1.0046 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1223 -0.7596 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8124 0.1876 -0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0065 -1.1666 0.1679 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2117 0.0600 -1.1374 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5939 1.8496 0.2967 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3216 0.7932 1.7164 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6039 -1.7017 0.2165 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8176 0.0829 -0.9005 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3076 1.1415 -0.7799 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