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
-2.9493 0.0709 0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5253 0.4890 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6627 -0.1188 -0.7366 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6760 0.2136 -0.8042 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6413 -0.3502 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2577 -1.2145 0.8388 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0773 -0.0194 -0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0885 1.8195 1.0953 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.1236 -0.3744 1.0708 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1407 -0.7260 -0.7031 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6333 0.9399 -0.1025 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9939 -0.9311 -1.3666 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3647 0.5321 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4056 0.6240 0.8065 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6948 -0.9545 -0.0313 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