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
-1.9922 0.4903 -0.1668 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6999 -0.8510 0.3852 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5140 -1.1917 0.8328 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5037 -0.2499 0.7833 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3546 -0.0984 -0.2913 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1933 -0.8600 -1.2784 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4265 0.9331 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9665 -2.0476 0.4554 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.9904 0.8660 0.1508 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2298 1.2441 0.1541 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9155 0.4691 -1.2915 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3053 -2.1614 1.2312 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3902 0.4624 -0.6054 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5663 1.2617 0.7702 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1792 1.7333 -0.9687 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