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
-2.7746 -0.2640 -0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5011 0.4024 0.1497 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3509 -0.3340 -0.2266 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9042 0.1699 0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9341 1.2892 0.6829 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1371 -0.5250 -0.2782 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2944 0.0172 0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1475 -2.0581 -1.1116 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.0340 -1.1127 0.4221 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7638 -0.5318 -1.3144 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5972 0.4851 -0.1243 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4225 1.3982 -0.3309 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5081 0.5489 1.2681 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2464 -0.4480 -0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2886 0.9626 0.5547 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