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
2.8645 -0.0763 0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4873 0.4365 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6106 -0.0724 0.8653 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7084 0.4037 0.8614 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5708 -0.2969 0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1856 -1.2651 -0.6817 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0057 0.1154 -0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0371 1.6764 -1.1433 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.1052 -0.3868 1.0323 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8776 -0.9864 -0.6541 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6175 0.6674 -0.3083 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8869 -0.8348 1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5997 -0.8070 -0.1438 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1449 0.7844 -0.9528 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2716 0.6420 0.8364 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