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
1.9378 -0.8298 -0.1011 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8543 0.6634 -0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7317 1.3046 0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4291 0.6318 0.4389 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3575 0.1729 -0.4684 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1450 0.3701 -1.6876 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6024 -0.5471 -0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2998 1.5035 -0.7144 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.3369 -1.1785 0.7851 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4597 -1.2348 -1.0141 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9757 -1.1657 -0.0419 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7385 2.3804 -0.0628 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9721 -1.1932 -0.8848 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3552 0.2489 0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4730 -1.1264 0.8543 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