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
-1.9480 0.7525 -0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7943 -0.7208 -0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6721 -1.3446 0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4304 -0.6508 0.5362 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3976 -0.1064 -0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2990 -0.2329 -1.5028 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5384 0.6209 0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2127 -1.5978 -0.7234 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2593 1.2302 -0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6799 0.9098 0.8051 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9786 1.1800 0.3328 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6234 -2.4048 -0.0278 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7992 1.5334 -0.2107 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3070 0.9347 1.3866 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3969 -0.1035 0.3615 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