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
-2.7324 0.4924 -0.3196 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5326 -0.3625 -0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3212 0.3797 -0.1052 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8804 -0.2578 0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8477 -1.4761 0.4168 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1698 0.4134 0.0813 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2743 -0.2612 0.3241 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2296 2.1201 -0.3102 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7793 1.4048 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6324 -0.1231 -0.1056 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6940 0.7607 -1.4115 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6358 -0.8646 0.9528 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5273 -1.1755 -0.7984 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2142 0.2603 0.2764 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2391 -1.3107 0.5650 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