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
-2.1756 -0.3833 0.8861 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8994 0.6910 -0.0798 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7096 0.8866 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3102 0.0630 -0.1276 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6192 0.1554 -0.5427 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9157 1.0503 -1.3645 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6290 -0.7759 -0.0281 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1913 1.7293 -0.6107 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3898 0.0031 1.9136 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0254 -0.9954 0.5102 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3280 -1.0892 1.0084 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5033 1.6670 -1.2531 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3051 -1.2200 0.9195 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5865 -0.1999 0.0927 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8567 -1.5820 -0.7740 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