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
-2.4335 0.7237 0.4547 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3473 -0.4407 -0.5053 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1489 -1.1323 -0.2351 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0817 -0.4677 -0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0197 0.7361 -0.7069 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3075 -1.1911 -0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4607 -0.5941 -0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5479 0.8210 -0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2451 -2.8712 0.4087 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.5043 0.8236 1.0602 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3024 0.4905 1.1338 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6267 1.6417 -0.1018 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2294 -0.0288 -1.5415 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2304 -1.0869 -0.4745 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3633 -1.1400 0.0322 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0455 1.5234 0.1052 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6104 1.1721 -0.6294 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1412 1.0207 -1.6028 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