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
-1.9226 -0.7864 -0.2095 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8046 0.6340 0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6635 1.1817 0.5714 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4851 0.4077 0.5894 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3205 0.2804 -0.4809 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0847 0.8714 -1.5590 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5269 -0.5684 -0.3732 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2680 1.5951 0.1681 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2421 -0.8914 -1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9165 -1.2556 -0.1285 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6053 -1.3651 0.4601 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5710 2.2128 0.8684 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7099 -1.0339 -1.3627 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4314 0.0654 -0.1477 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4349 -1.3476 0.4113 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