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
-3.0636 0.0416 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7027 0.0550 -0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6195 -0.0191 0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6170 -0.0052 -0.3397 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8131 -0.0791 0.3581 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7345 -0.1617 1.6095 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1454 -0.0644 -0.3053 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5290 0.1675 -2.1889 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.8284 0.1090 -0.5987 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0901 0.9770 0.8046 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1036 -0.8743 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7505 -0.0882 1.3491 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4920 0.9998 -0.2787 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0191 -0.3149 -1.3924 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8664 -0.7430 0.1843 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