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
-2.7756 -0.1040 -0.1592 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4515 -0.2974 0.4935 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3642 0.1555 -0.2719 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9053 -0.0127 0.3171 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0042 -0.5423 1.4616 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1056 0.4063 -0.3556 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2802 0.2441 0.2033 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0172 1.1420 -1.9365 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.9844 -0.8658 -0.9606 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5616 -0.2502 0.6349 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9433 0.9173 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3125 -1.3997 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4539 0.2574 1.4516 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2034 0.5623 -0.3055 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3312 -0.2127 1.1842 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