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
-2.9597 0.2189 0.1172 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5252 0.0654 -0.3481 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5898 0.1262 0.5455 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7492 0.0404 0.5388 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6435 -0.1477 -0.4398 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2477 -0.2808 -1.6189 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1420 -0.2067 -0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3337 -0.1739 -2.0385 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.3643 -0.8169 0.1359 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9917 0.7136 1.1017 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5197 0.8656 -0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9596 0.2955 1.6314 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5561 0.8197 -0.1065 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3243 -0.6960 0.8148 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5810 -0.8234 -0.9562 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