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
-2.9443 0.4380 -0.4129 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5412 -0.1249 -0.2419 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5587 0.7263 -0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7764 0.5843 -0.0752 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6197 -0.4394 0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1594 -1.5987 0.1150 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1121 -0.3090 0.2065 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4738 -1.8504 -0.1137 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.9554 1.5142 -0.1816 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1907 0.2296 -1.4807 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6347 -0.1298 0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8357 1.8288 -0.3139 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4341 -0.2009 1.2436 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4420 0.5427 -0.4398 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5909 -1.2108 -0.2310 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