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
-2.5321 0.4751 -0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3826 -0.2812 0.5671 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1606 0.0709 -0.0501 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0009 -0.5439 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9010 -1.3780 1.3242 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3104 -0.2729 -0.1486 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4361 0.5981 -1.1211 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7119 -1.0870 0.4694 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.4573 0.1484 0.5058 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6239 0.2143 -1.0991 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3359 1.5577 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5482 -1.3888 0.4641 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3421 -0.0906 1.6689 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6078 1.1451 -1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4145 0.8327 -1.5637 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