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
-2.7168 0.6158 0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5130 -0.2720 0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3099 0.4356 -0.0953 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8701 -0.2966 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8132 -1.5679 -0.0833 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1643 0.3097 -0.3229 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2717 -0.4064 -0.3856 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2776 2.0573 -0.4371 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.9182 0.9849 1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6072 -0.0101 -0.1543 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6812 1.4669 -0.5741 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6758 -1.0288 -0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4545 -0.8513 1.0208 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2351 -1.4841 -0.3183 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2446 0.0470 -0.5049 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