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
-2.9203 -0.0688 -0.1543 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4715 -0.3043 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6191 -0.3623 0.6283 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7315 -0.5826 0.4088 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6209 0.4621 0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1664 1.6331 0.2352 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0477 0.1197 -0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9466 -0.5013 -2.0371 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.3360 0.6255 -0.9103 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4181 -1.0666 -0.1921 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0904 0.3182 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9372 -0.2416 1.6513 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0460 -0.7989 -0.6613 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5260 -0.1774 0.9414 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6006 0.9451 -0.5197 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