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
-2.9752 -0.2223 0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5144 0.1319 0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6492 -0.5000 -0.4734 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6960 -0.4568 -0.5912 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6776 0.2515 -0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3876 1.1003 0.8502 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1362 0.1102 -0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1951 1.3801 1.4316 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.1000 -1.0162 -0.6557 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3185 -0.5292 1.0921 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5344 0.6640 -0.2617 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1056 -1.2690 -1.1716 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3820 1.0048 -0.9629 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3474 -0.7666 -0.9492 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7655 0.1174 0.5627 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