Monomers
Ethyl 2-chloroacrylate
Identifiers
IUPAC name
ethyl 2-chloroprop-2-enoate
InchI
InChI=1S/C5H7ClO2/c1-3-8-5(7)4(2)6/h2-3H2,1H3
InchI Key
CVUNPKSKGHPMSY-UHFFFAOYSA-N
SMILES
CCOC(=O)C(=C)Cl
Canonical SMILES
CCOC(=O)C(=C)Cl
Isomeric SMILES
CCOC(=O)C(=C)Cl
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
1.302
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
-2.7282 -0.5457 -0.3278 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5512 0.4036 -0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3565 -0.3573 -0.2199 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8723 0.2812 -0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8413 1.5547 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1405 -0.4008 -0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2621 0.2645 -0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1996 -2.1294 -0.2858 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.6785 -0.0110 -0.2208 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6474 -1.0202 -1.3283 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6158 -1.3449 0.4374 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6043 1.0854 -1.0806 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6256 1.0320 0.7153 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2480 1.3614 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2437 -0.1734 -0.0275 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 2 0
4 6 1 0
6 7 2 3
6 8 1 0
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
7 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers