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
2.9438 -0.6730 0.3628 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4903 -0.9181 0.3385 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6816 0.0939 0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6840 -0.1366 0.1615 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6308 0.8426 0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2302 2.0296 -0.1245 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0987 0.5643 -0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8722 -2.5287 0.5129 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.2886 -0.4010 1.3858 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2521 0.1222 -0.3627 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4495 -1.6144 0.0677 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0047 1.1173 0.0709 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6019 1.4369 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3917 0.4042 -1.0543 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3455 -0.3393 0.5873 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