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
2.9152 -0.2821 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5626 0.2071 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6213 0.2177 -0.6392 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6674 0.6609 -0.3731 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6579 -0.2081 0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3173 -1.4199 0.2223 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0431 0.2476 0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2221 0.7550 1.9015 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.5779 -0.4122 0.7773 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3196 0.4376 -0.8371 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7562 -1.2333 -0.6569 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8205 -0.1204 -1.6462 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1058 0.5402 1.4129 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2632 1.1585 -0.2469 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7406 -0.5486 0.0603 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