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
-2.2381 -0.5084 0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6253 0.7904 -0.3215 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2933 0.6239 -0.7349 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7228 0.1745 0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4305 -0.0945 1.2843 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0902 0.0120 -0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0078 -0.4182 0.4898 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4622 0.3990 -2.0176 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3457 -1.2473 -0.6516 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2918 -0.2532 0.4709 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7535 -0.9046 1.0627 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2090 1.0782 -1.2275 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7479 1.5296 0.4953 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7698 -0.6501 1.4989 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0214 -0.5312 0.1265 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