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
2.8958 0.1871 0.2455 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4302 0.5170 0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6473 -0.1184 -0.6996 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6903 0.2289 -0.7617 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5742 -0.4265 0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1099 -1.3021 0.8466 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0395 -0.1104 0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8155 1.7830 1.1469 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.5126 1.1048 0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9750 -0.3724 1.2213 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2149 -0.4607 -0.5917 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0843 -0.9043 -1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5097 -0.6318 0.9174 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1604 1.0017 0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4915 -0.4958 -0.8622 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