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
-2.9239 0.0216 -0.3915 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4806 0.1273 -0.6414 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6452 0.6473 0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7199 0.7762 0.0644 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5988 -0.2085 0.4463 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0953 -1.2491 0.9677 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0675 -0.1376 0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7902 -0.4452 -2.1488 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.4535 -0.3417 -1.2764 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0981 -0.7306 0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3965 0.9921 -0.1101 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0558 1.0026 1.1657 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3240 -0.6292 -0.6872 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5872 -0.7248 1.0833 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4512 0.8997 0.2164 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