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
-1.9418 -0.9867 0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8974 0.5180 -0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8153 1.1664 -0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3948 0.5752 -0.7106 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3893 0.2882 0.1884 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1731 0.5893 1.3959 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6818 -0.3383 -0.1331 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3681 1.3514 0.3554 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.9721 -1.3503 -0.2132 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2650 -1.4423 -0.6914 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7213 -1.2391 1.0804 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8440 2.2446 -0.4178 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8777 -0.3977 -1.2223 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8278 -1.3312 0.3244 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4806 0.3525 0.2656 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