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
-2.3908 0.3073 0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8176 -0.8700 -0.4972 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5112 -0.9537 -0.6128 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3317 0.0120 -0.1073 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6998 -0.0618 -0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1728 -1.0826 -0.8259 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6010 0.9673 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9256 -2.0686 -1.1215 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.3071 0.5866 -0.3701 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6635 1.1606 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6130 0.0812 1.2675 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0964 -1.8077 -1.1202 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5420 0.9582 1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3424 1.9963 -0.0158 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6355 0.7749 -0.0586 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