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
-2.2807 -0.9762 -0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9068 0.4374 -0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6772 0.8878 -0.4396 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3568 0.0446 -0.0431 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6520 0.5143 0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8380 1.7386 -0.1377 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7751 -0.3644 0.5274 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1584 1.5493 -1.0801 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.6719 -1.3712 -1.3062 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1264 -0.9804 0.3937 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4452 -1.6131 -0.0372 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4491 1.9217 -0.6306 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3584 -1.2836 0.9789 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3652 -0.6475 -0.3491 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3701 0.1426 1.3175 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