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
-1.9986 0.5326 0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7969 -0.5632 -0.8172 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6622 -1.1946 -0.9687 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4839 -0.9030 -0.2203 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3825 0.0318 -0.6643 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1513 0.6168 -1.7551 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6213 0.4108 0.0515 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1477 -1.0381 -1.8265 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.6509 1.5139 -0.2041 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0837 0.6447 0.3759 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5263 0.3078 1.1511 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5387 -1.9895 -1.6896 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4085 0.6111 -0.7136 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9496 -0.3587 0.7757 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4077 1.3778 0.5735 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