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
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
-2.9053 0.2392 0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5698 -0.0890 -0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6064 -0.4809 0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6713 -0.8054 0.1291 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6546 0.1559 0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3202 1.3317 0.4105 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0449 -0.1225 -0.3904 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2906 0.0555 -1.9370 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.1692 -0.5780 1.0336 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9440 1.1934 0.8598 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6966 0.2577 -0.4606 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7854 -0.5686 1.6203 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6248 0.8210 -0.3461 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0946 -0.5771 -1.3856 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5568 -0.8328 0.3119 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