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
-1.9670 0.3940 -0.5605 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8311 -0.4425 0.6465 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7129 -0.4803 1.3139 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4283 0.2411 0.9662 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3947 -0.2779 0.1193 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2152 -1.4271 -0.3323 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6119 0.5365 -0.2296 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1898 -1.3868 1.1760 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3134 -0.2642 -1.3854 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7253 1.2007 -0.3993 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9768 0.8210 -0.8312 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6351 -1.0971 2.1915 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3086 1.2904 -0.9719 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3879 -0.1004 -0.6494 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0046 0.9926 0.6974 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