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
-2.9515 0.0233 -0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5369 -0.3219 -0.5465 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6117 0.6209 -0.5006 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7293 0.3842 -0.7053 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6289 0.0635 0.2757 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2037 -0.0241 1.4627 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0697 -0.1917 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0704 -1.9666 -0.8821 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.3969 0.3953 -1.2689 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5526 -0.8596 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0468 0.8729 0.4209 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8923 1.6584 -0.2905 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3397 -1.2631 0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4112 0.2027 -0.9396 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6766 0.4058 0.8052 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