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
-1.5768 0.0364 -2.0243 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2998 -1.1503 -1.1999 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4508 -1.0855 -0.2107 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2350 0.0796 0.1263 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1324 0.1362 1.1772 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3230 -0.9145 1.8421 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8695 1.3764 1.5443 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1067 -2.6497 -1.5429 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.6772 0.2644 -2.0519 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0827 0.9498 -1.6797 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3086 -0.1966 -3.0861 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2583 -1.9647 0.3849 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 2.2670 1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8489 1.5658 2.6368 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9232 1.2856 1.2376 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