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
-3.0062 -0.0017 0.2121 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6306 0.4774 0.4592 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6088 -0.2304 0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6679 0.2162 0.2818 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8009 -0.4850 -0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6308 -1.5663 -0.7227 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1133 0.1116 0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3553 1.9830 1.2924 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.0634 -1.0492 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7597 0.6157 0.7652 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2838 0.0970 -0.8715 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8021 -1.1653 -0.4657 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0980 0.5514 1.2127 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9660 -0.5482 0.0075 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2330 0.9938 -0.5045 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