Monomers
2-Chloro-2-butenoic acid ethyl ester
Identifiers
IUPAC name
ethyl (Z)-2-chlorobut-2-enoate
InchI
InChI=1S/C6H9ClO2/c1-3-5(7)6(8)9-4-2/h3H,4H2,1-2H3/b5-3-
InchI Key
GNIGIXRJSOSZNA-HYXAFXHYSA-N
SMILES
CCOC(=O)/C(=C/C)/Cl
Canonical SMILES
CCOC(=O)C(=CC)Cl
Isomeric SMILES
CCOC(=O)/C(=C/C)/Cl
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H9ClO2
Heavy Atom Count
9
Molecular Weight
148.589
Exact Molecular Weight
148.0291
Valence Electrons
52
Radical Electrons
0
tPSA
26.3
MolLogP
1.6921
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
18 17 0 0 0 0 0 0 0 0999 V2000
2.9805 0.0341 -0.8646 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1343 -0.9781 -0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7590 -0.6606 -0.1605 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2264 0.4920 0.3379 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9925 1.3336 0.8647 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2037 0.7310 0.2552 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9587 -0.1877 -0.3084 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4057 0.0172 -0.4105 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9274 2.2037 0.8858 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.1379 0.8838 -0.1717 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4739 0.3454 -1.7855 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9663 -0.4126 -1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4693 -1.0561 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2814 -1.9489 -0.6333 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5423 -1.0993 -0.7032 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6662 0.2886 -1.4479 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7210 0.8715 0.2415 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9965 -0.8577 -0.0322 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
7 8 1 0
6 9 1 0
1 10 1 0
1 11 1 0
1 12 1 0
2 13 1 0
2 14 1 0
7 15 1 0
8 16 1 0
8 17 1 0
8 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers