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
1.9653 0.7294 -0.4503 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8271 -0.6624 0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7406 -1.0922 0.6639 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3817 -0.3086 0.8826 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4169 -0.2389 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2639 -0.9285 -1.0940 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6301 0.5975 0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1813 -1.7398 -0.1573 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.6216 0.8396 -1.4849 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0217 1.0182 -0.3811 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4076 1.4190 0.2305 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7174 -2.1110 1.0069 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4162 1.4677 0.8203 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9240 1.0042 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4497 0.0057 0.6122 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