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
-2.9353 0.0971 -0.3623 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5316 0.1142 -0.8274 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6127 0.7425 -0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7079 0.7735 -0.5409 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6108 -0.1975 -0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2097 -1.1219 0.5957 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0385 -0.2458 -0.5421 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0907 -0.6982 -2.3047 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.6105 -0.0639 -1.2259 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1267 1.0512 0.1591 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0310 -0.7576 0.3538 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8477 1.2546 0.7887 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3137 0.5863 -1.2162 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1977 -1.1807 -1.1543 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7079 -0.3539 0.3293 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