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
2.1793 0.9252 0.2883 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9552 -0.4090 -0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7246 -0.8504 -0.4356 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3202 -0.0684 -0.0219 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6163 -0.5262 -0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7950 -1.6513 -0.6571 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7356 0.3377 0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3250 -1.3699 -0.8180 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.3858 1.6561 0.0105 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1400 1.3692 -0.0941 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2121 0.8826 1.3887 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5956 -1.8386 -0.8769 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6385 0.4585 1.3991 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7399 1.3135 -0.2275 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6722 -0.2291 0.1255 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