Monomers
2-Chloroprop-1-enyl acetate
Identifiers
IUPAC name
2-chloroprop-1-enyl acetate
InchI
InChI=1S/C5H7ClO2/c1-4(6)3-8-5(2)7/h3H,1-2H3
InchI Key
OPZZKYKMMQTPEL-UHFFFAOYSA-N
SMILES
CC(=COC(=O)C)Cl
Canonical SMILES
CC(=COC(=O)C)Cl
Isomeric SMILES
CC(=COC(=O)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
1.6496
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
-2.9132 0.3245 0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5812 0.0764 -0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5216 0.7865 0.2277 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7339 0.5856 -0.3072 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6679 -0.2805 0.2319 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3557 -0.9186 1.2645 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0139 -0.4884 -0.3513 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4342 -1.1958 -1.3028 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.0322 1.3871 0.8119 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6891 0.1341 -0.3015 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1276 -0.3929 1.2988 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6091 1.5811 0.9689 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9715 -0.4985 -1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4504 -1.4308 0.0287 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7149 0.3302 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
2 8 1 0
1 9 1 0
1 10 1 0
1 11 1 0
3 12 1 0
7 13 1 0
7 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers