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
-2.9338 -0.0213 -0.1765 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4953 -0.0760 -0.5183 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6416 0.6989 0.0979 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7236 0.7039 -0.1686 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6178 -0.1071 0.4901 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1511 -0.8794 1.3698 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0740 -0.1075 0.2118 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0090 -1.2144 -1.7701 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.4878 -0.9164 -0.5535 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3559 0.8714 -0.6802 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0512 -0.0025 0.9218 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9813 1.3801 0.8567 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2816 -0.5755 -0.7528 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5053 0.9137 0.2171 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6023 -0.6678 1.0111 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