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
-2.9493 -0.0165 0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5266 -0.3597 0.3886 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6081 0.6010 0.4265 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7318 0.3442 0.6136 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6201 0.1098 -0.4366 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1359 0.1429 -1.5980 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0736 -0.1660 -0.1831 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0840 -2.0417 0.5772 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.0386 0.4493 -0.8223 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5943 -0.8879 0.3299 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1976 0.7734 0.9335 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9059 1.6324 0.3076 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5287 -0.3896 -1.1731 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2284 -0.9665 0.5445 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5860 0.7748 0.1720 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