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
-2.9285 0.3616 -0.1876 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5822 -0.0425 0.2682 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5403 0.7645 0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7266 0.4147 0.5721 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6617 -0.2108 -0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3482 -0.4831 -1.4030 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0310 -0.5768 0.2631 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4169 -1.6414 0.9681 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.5466 -0.4802 -0.5383 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7691 1.0295 -1.0792 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4483 0.9846 0.5612 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6794 1.7427 -0.2806 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0635 -0.5264 1.3761 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7115 0.2057 -0.1631 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3686 -1.5420 -0.1331 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