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
-2.9283 0.1494 -0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5273 -0.3132 -0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6796 -0.1474 0.6149 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6477 -0.5490 0.5567 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6625 0.2626 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3589 1.4199 -0.2755 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0891 -0.1497 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0879 -1.0621 -1.8943 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.5376 -0.6269 0.3173 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3999 0.3130 -1.2018 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9880 1.0968 0.3848 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9972 0.3208 1.5343 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1836 -1.2336 -0.2418 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6388 0.5061 -0.6569 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5649 0.0132 1.0441 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