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
-3.0103 -0.2270 -0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7260 0.1026 -0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5978 -0.1056 -0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6401 0.2042 -0.5932 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8022 -0.0340 0.1184 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6860 -0.5293 1.2853 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1532 0.2652 -0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6717 0.7804 -2.2527 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.9241 -0.8877 0.8576 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5518 0.6944 0.3393 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7036 -0.7611 -0.7285 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6336 -0.5242 0.9869 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1471 1.1900 -1.0505 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5500 -0.5517 -1.0602 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8402 0.3838 0.4283 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