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
-2.8685 -0.3039 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4636 -0.0663 0.4044 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6778 0.6833 -0.3087 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6308 0.8875 0.1386 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5953 -0.0069 -0.2886 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2862 -0.9618 -1.0507 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9860 0.1652 0.1543 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9255 -0.8134 1.8896 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.9304 -0.3424 -1.1546 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5022 0.4834 0.3616 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1846 -1.3221 0.3087 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0356 1.1348 -1.2255 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1747 -0.3638 1.1323 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7244 -0.2545 -0.5575 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1909 1.2552 0.2432 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