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
2.8765 0.0388 0.6422 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5881 -0.1811 -0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5160 -0.5218 0.6347 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7241 -0.7379 0.0177 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6528 0.2466 -0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3819 1.4092 0.2253 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9741 0.0465 -0.8235 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5164 0.0227 -1.7618 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.4131 -0.9190 0.7872 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7165 0.5593 1.6308 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5531 0.7196 0.0742 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5933 -0.6404 1.7056 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0590 -0.9867 -1.2402 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1734 0.8242 -1.6107 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8076 0.1201 -0.0730 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