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
-1.9573 -0.3095 0.5273 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7385 0.3743 -0.7619 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5504 0.3321 -1.3163 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4854 -0.3414 -0.7063 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3458 0.2761 0.1943 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1911 1.4926 0.4767 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4644 -0.4513 0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0668 1.2197 -1.5127 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.5849 0.3337 1.3618 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0470 -0.5344 0.6491 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4456 -1.2920 0.5861 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3907 0.8292 -2.2539 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3507 -0.5127 0.1577 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1457 -1.5029 1.0788 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7982 0.0865 1.7487 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