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
-2.8483 -0.4125 0.6315 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4258 -0.6518 0.3874 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5175 0.1738 0.8516 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8495 -0.0058 0.6489 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5239 0.5174 -0.4392 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8750 1.1750 -1.2674 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9969 0.3137 -0.6413 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8830 -2.0379 -0.5265 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.4341 -1.3539 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0509 0.2430 1.4959 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2892 0.0263 -0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8480 1.0305 1.4161 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4817 1.1407 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2386 0.4977 -1.6964 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3312 -0.6563 -0.2532 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