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
2.9012 0.0273 -0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4739 -0.2085 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5881 0.7712 0.1543 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7189 0.4715 0.4953 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6120 0.1128 -0.5019 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1785 0.0789 -1.6810 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0357 -0.2250 -0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9833 -1.8423 0.5446 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.1882 1.0786 -0.1566 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0742 -0.4183 -1.2264 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4965 -0.5651 0.5295 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9243 1.7667 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1751 -0.3068 0.8827 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1877 -1.2551 -0.6222 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7220 0.5140 -0.6728 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