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
2.7156 0.6079 -0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5600 -0.3517 -0.2813 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3447 0.2971 0.0829 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8739 -0.3488 0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8843 -1.5356 -0.3810 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1367 0.2926 0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2860 -0.3283 0.3137 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1313 1.9742 0.9438 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.0061 1.0562 -1.0867 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6006 0.0594 0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3881 1.3803 0.6193 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7193 -1.1754 0.4724 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4898 -0.7494 -1.3123 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1885 0.1643 0.5878 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3237 -1.3428 -0.0210 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