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
2.5003 -0.0291 -0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3746 0.4497 0.8245 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1720 0.0214 0.2170 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0569 0.3067 0.8234 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0094 0.9465 1.9048 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3121 -0.1223 0.2199 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3341 -0.7855 -0.9038 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8061 0.2701 1.0343 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.4768 0.0075 0.3777 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1944 -1.0461 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4315 0.6211 -1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5481 -0.0279 1.8071 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4454 1.5318 0.9563 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3979 -1.0165 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2265 -1.1273 -1.3954 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