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
3.0390 -0.3794 -0.2706 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4461 0.8750 0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1123 1.0966 -0.1018 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1149 0.1646 0.2277 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5056 -0.8444 0.8715 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2756 0.3464 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1513 -0.5693 0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5975 -0.4280 -0.1636 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8582 1.7260 -1.0356 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4.1600 -0.2605 -0.2125 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7272 -1.2755 0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8036 -0.4702 -1.3606 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5663 0.8574 1.3981 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0345 1.7560 -0.0871 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8448 -1.4523 0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6767 0.2045 -1.0735 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0682 0.0889 0.7188 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0371 -1.4358 -0.3307 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