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
-2.1971 0.9421 0.2842 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9235 -0.5078 0.4808 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7080 -0.9897 0.3731 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3353 -0.1610 0.0762 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6491 -0.5606 -0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9183 -1.7631 0.0964 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6929 0.4502 -0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2865 -1.5345 0.8594 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.1705 1.2364 0.7146 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4061 1.5430 0.8184 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1022 1.1739 -0.7916 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5547 -2.0385 0.5222 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7242 0.5702 -1.4733 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3573 1.4184 0.0444 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6716 0.2210 0.0359 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